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February 10, 2022 the famous scientist in mechanics of solids and applied mathematics, teacher, organizer of science and higher education in Russia YuriN.Radayev is celebrating his60thanniversary. YuriN.Radayev is known as a prominent scientist in the field of mechanics and applied mathematics. The principal directions of his academic activity are the Mathematical Theory of Plasticity, Fracture Mechanics, the Theory of Cracks and Microdamages, Coupled Hyperbolic Thermoelasticity and Thermomechanics, Micropolar Elasticity, Mechanics of Granular Solids, Mechanics of Growing Solids. In this biographical background we discuss the scientific and educational work of Prof. Yuri N.Radayev, give an information on his achievements and a list of his main publications.

Introduction. The development of a sludge management technology requires the understanding of treatment facilities as complex multi-parameter systems having explicit correlations between the composition of wastewater and concentrated pollution. In this regard, the article discusses the establishment of environmentally friendly systems for the disposal of sewage sludge, taking into account the process features of treatment facilities. Materials and methods. The authors study the largest treatment facilities located in the Samara region, as well as various new and previously accumulated batches of sewage sludge in the area of their influence. The method of principal components is applied to solve the pre-set tasks. Results. Parametric criteria, used to evaluate the treatment facilities and the sludge they accumulate, are addressed in the article. The project also encompasses the calculation of environmental and resource parameters. Data centering and scaling were applied to the information obtained in the course of the project implementation, and the obtained data were further analyzed using the method of principal components. The results obtained with the help of the model, constructed using the method of principal components, are displayed in the graphs of accounts and loads, characterizing the relationship between the fields and parameters used to evaluate them. Conclusions. Following the analysis of 20 pre-selected sites of treatment facilities, 6 facilities were considered as rational, since they are characterized by the well-developed engineering infrastructure. The conditionally rational area includes 8 facilities. Sediment processing and disposal plants are to be established there upon completion of preliminary environmental surveys. The remaining 6 facilities are considered irrational, since their resource capacity is insufficient for efficient production processes. A systematic approach allows (1) arranging sewage sludge treatment facilities at wastewater treatment plants located in the rational and conditionally rational areas of development and (2) drafting process flow diagrams to ensure a higher involvement of sludge in reclamation processes.

Eduard Germanovich Bykov, a famous Russian morphologist, Doctor of Medical Sciences, Honored Scientist of the Russian Federation, Honorary Professor of N.N. Burdenko Voronezh State Medical Academy (VSMA), a founder and leader of Voronezh school of histochemistry would have been 85 years old on June 10, 2021. A key issue of his scientific activity was careful selection of sample preparation protocols for histochem ical analysis in order to increase objectivity of differential diagnosis ofbiopsy material in vivo in clinical practice and to solve urgent problems of pathomorphogenesis of the whole range of diseases. Novelty and perspectives of the conducted research allowed Eduard Germanovich to become a scientific supervisor and consultant of a large number of dissertationists who performed their research in alma mater and in universities of other cities of the USSR. From 1978 to 2008, Prof. Bykov was in charge of the Central Research Laboratory, N.N. Burdenko State Medical University, organizing work of laboratories as connecting elements between fundamental research and practical health care. Scientifically based methods of diagnosis, therapy and rehabilitation were developed an d implemented into practical healthcare in the Central ResearchInstitute. Eduard Germanovich created Voronezh Scientific School "Human Histochemistry. Clinical Histochemistry", which focused on preserving the vital chemical characteristics of the object of study. Prof. Bykov was repeatedly awarded with certificates of honor from the University Administration and the Government of Voronezh Region for achievements in research, teaching and social work. In April 2010 he was awarded by the Russian Federation of Cosmonautics with Academician M.V. Keldysh medal for a significant contribution to the development of Russian cosmonautics. In 2011 Professor Eduard Bykov was awarded the title of "Honorary Professor" of N.N. Burdenko Voronezh State Medical Academy.

Magnetic refrigeration is a highly active field of research. The recent studies in materials and methods for hydrogen liquefaction and innovative techniques based on multicaloric materials have significantly expanded the scope of the field. For this reason, the proper characterization of materials is now more crucial than ever. This makes it necessary to determine the magnetocaloric and other physical properties under various stimuli such as magnetic fields and mechanical loads. In this work, we present an overview of the characterization techniques established at the Dresden High Magnetic Field Laboratory in recent years, which specializes in using pulsed magnetic fields. The short duration of magnetic-field pulses, lasting only some ten milliseconds, simplifies the process of ensuring adiabatic conditions for the determination of temperature changes, Δ T a d . The possibility to measure in the temperature range from 10 to 400 K allows us to study magnetocaloric materials for both room-temperature applications and gas liquefaction. With magnetic-field strengths of up to 50 T, almost every first-order material can be transformed completely. The high field-change rates allow us to observe dynamic effects of phase transitions driven by nucleation and growth as well. We discuss the experimental challenges and advantages of the investigation method using pulsed magnetic fields. We summarize examples for some of the most important material classes including Gd, Laves phases, La–Fe–Si, Mn–Fe–P–Si, Heusler alloys and Fe–Rh. Further, we present the recent developments in simultaneous measurements of temperature change, strain, and magnetization, and introduce a technique to characterize multicaloric materials under applied magnetic field and uniaxial load. We conclude by demonstrating how the use of pulsed fields opens the door to new magnetic-refrigeration principles based on multicalorics and the ‘exploiting-hysteresis’ approach.

Aim. The paper aims to elaborate effectiveness criteria for aerobic and anaerobic training based on a comprehensive analysis of the athletes’ trophological status. Materials and methods. Anthropometric data, body composition, carbohydrate and fat metabolism indicators were collected for trained athletes (n = 41) once per day (in the morning) on an empty stomach. To find metabolic determinants for the training process of various orientations, athletes were divided into two groups, namely, a group with a predominantly aerobic orientation (n = 23) and those with a predominantly anaerobic one (n = 18). Results. The assessment of the athletes’ trophological status showed reliable correlations between body composition and aerobic capacities. Body composition indicators allow forecasting physical performance in predominantly aerobic sports. Total cholesterol and blood glucose dynamics reflect the nature of metabolic changes during long-term adaptation to aerobic and anaerobic exercises. Conclusion. In the group with aerobic training, sportsmanship depends on the anthropological and trophological statuses. The ratio of blood glucose to total cholesterol can act as a universal marker of aerobic and anaerobic capacities during long-term sports training.

Aim. The article deals with studying the functional status of the cardiovascular system and the features of its regulation in athletes of different qualifications from acyclic sports. Materials and methods. Male athletes of different qualifications aged 18–22 years and involved in acyclic sports participated in the study. A complex noninvasive bioimpedance study of HRV and hemodynamics was conducted with the Centaur (Microlux) system. The study of morphofunctional indicators of the myocardium was performed with echocardiography. Results. In athletes with the rank of Master of Sports adaptation to physical training is implemented through the increase in stroke volume, end-diastolic volume, end-systolic volume, the humoral metabolic activity of heart rate regulation, and myocardial thickening. In the athletes of the 1st and 2nd ranks, there is a predominance of sympathetic activity in heart rate regulation and the chronotropic mechanism in response to physical load, which proves their less perfect adaptation. Conclusion. Based on the results obtained in the transition period of training the features of myocardial hemodynamic and vegetative homeostasis were revealed. Namely, the increase in qualifications and sports performance enhancement are determined by both morphofunctional changes in the heart, and the improvement of heart rate regulation mechanisms and cardiac contractile function.

We present a case of hemodynamic correction for the single ventricle combined with subaortic obstruction and coarctation in an infant. The Damus-Kaye-Stansel procedure with modified double-barrel technique was performed. The pulmonary flow was provided with modified Blalock-Taussig shunt. The early postoperative period was characterized by multiple organ failure. Subsequently, the infant underwent the next stages of hemodynamic correction with good long-term results.

The features of the genesis of technogenic lens elements of hydrocarbons under the sites of oil refineries are considered. Recommendations are given for the study and assessment of the dynamics of the state and migration of accumulated hydrocarbons in the geological environment using numerical and 3D modeling. The differences of technogenic lens elements from oil fields of natural origin are presented. It is shown that the object under study adversely affects all components of the geological environment. To reduce the anthropogenic load exerted by the oil lens elements, a physicochemical method has been proposed for cleaning contaminated rocks from pollutants using surfactants. This technology allows for the rehabilitation of the geological environment and at the same time to intensify the extraction of commercial hydrocarbons accumulated under the territories of oil refineries.

Heliomycin (also known as resistomycin) is an antibiotic with a broad spectrum of biological activities. However, low aqueous solubility and poor knowledge of its chemical properties have limited the development of this natural product. Here, we present an original scheme for the introduction of aminoalkylamine residues at positions 3, 5, and 7 of heliomycin and, using this, have prepared a series of novel water-soluble derivatives. The addition of side chains to the heliomycin scaffold significantly improves their interaction with different DNA secondary structures. One derivative, 7-deoxy-7-(2-aminoethyl)amino-10-O-methylheliomycin (8e), demonstrated affinity, stabilization potential, and good selectivity toward i-motif-forming DNA sequences over the duplex and G-quadruplex. Heliomycin derivatives therefore represent promising molecular scaffolds for further development as DNA-i-motif interacting ligands and potential chemotherapeutic agents.

The difference in the reactivity of maleimide derivatives is explained by the method of calculating partial charges on carbon atoms of 3-substituted-4-bromomaleimides, as well as by 3D molecular modeling. The influence of various substituents on the electron density is studied, and the significant role of steric factors is shown. In the case of 3- (arylthio)- 4-bromomaleimides the most favorable structure is devoid of steric obstacles, which may explain the high reactivity of this compound.

In the original article published, the references Wang et al. 2016a and Wang et al. 2016b are incorrect.

EXtreme Gradient Boosting over Decision Trees (XGBoost or XGBDT) is a powerful tool to model a wide range of processes. We propose a new approach to create a global total electron content model, using machine-learning-based techniques, in particular, gradient boosting. The model is based on the Global Ionospheric Maps computed by Universitat Politecnica de Catalunya with a tomographic-kriging combined technique (UQRG). To reduce the problem complexity, we used empirical orthogonal functions (EOFs). The created model involves the first 16 spatial EOFs. For training and validation we used the 1998–2016 data sets, and the 2017 data as a test data set. To drive the model, we used the following features: (1) geomagnetic activity indexes (Kp, Ap, AE, AU, AL) and solar activity indexes (R, F10.7); (2) derivative values from these indexes such as the mean value and standard deviations within the last 12 h, last 11 days, and last 40 days; (3) day of the year (DOY); (4) averaged EOFs for given Kp and UT, and those for a given DOY and UT. The validation data set revealed the following hyperparameters for XGBoost learning: number of trees is 100, tree depth is 6, and learning rate is 0.1. Comparisons with the NeQuick2, Klobuchar, and GEMTEC models show that machine learning achieves higher accuracy for the 2017 test data set. The global averaged root-mean-square errors and mean absolute percentage errors were about 2.5 TECU and 19% for the nonlinear GIMLi-XGBDT model, about 4 TECU and 30–40% for NeQuick2, GEMTEC, and the linear model GIMLi-LM, and about 5.2 TECU and 73% for the Klobuchar model. A 4-fully-connected-layer artificial neural network provided a higher error (3.28 TECU and 27.7%) as compared to GIMLi-XGBDT. For all models mentioned, the error peaked in the equatorial anomaly region. The solar activity increase does not affect the error of the nonlinear GIMLi-XGBDT model. However, an increase in geomagnetic activity strongly affects that model.

Amphotericin B (AmB, 1) is the drug of choice for treating the most serious systemic fungal or protozoan infections. Nevertheless, its application is limited by low solubility in aqueous media and serious side effects such as infusion-related reactions, hemolytic toxicity, and nephrotoxicity. Owing to these limitations, it is essential to search for the polyene derivatives with better chemotherapeutic properties. With the objective of obtaining AmB derivatives with lower self-aggregation and improved solubility, we synthesized a series of amides of AmB bearing an additional basic group in the introduced residue. The screening of antifungal activity in vitro revealed that N-(2-aminoethyl)amide of AmB (amphamide, 6) had superior antifungal activity compared to that of the paternal AmB. Preclinical studies in mice confirmed that compound 6 had a much lower acute toxicity and higher antifungal efficacy in the model of mice candidosis sepsis compared with that of AmB (1). Thus, the discovered amphamide is a promising drug candidate for the second generation of polyene antibiotics and is also prospective for in-depth preclinical and clinical evaluation.

Semiconductors CulnSe2 (CIS) and alloys of Cu(ln,Ga)Se2 (CIGS) are often used as the light absorbing layer in thin film photovoltaic devices. These polycrystalline materials reach good conversion efficiencies despite the presence of grain boundaries, which can degrade device performance. Grain properties such as size distribution and orientation can be characterized using electron backscatter diffraction (EBSD). The EBSD method has been used extensively to determine texture and recrystallization in metal forming processes but to a lesser extent for characterization of CIGS thin film properties. This article describes measurements of grain properties for CIGS thin films grown under different reaction conditions.

In this article, the problem of utilization of drilling cuttings by means of scavenging, is researched. The product received could be used for the restoration of lands disturbed during construction and economic activities. When assessing technogenic formations, the binary approach was used, as a system of two components. The purpose of the study is to assess the state and possibility of utilizing drilling cuttings as raw materials in order to produce technogenic building materials; to study the effect of the degree of homogeneity of initial mixtures based on drilling cuttings, on kinetics of their hardening which leads to obtaining final products for various applications . As a result of research, relations of hardening and subsequent strengthening of slurry-cement mixtures were obtained; the plan of the process area for treatment of drilling cuttings is presented on the spot of demolished drilling pit.

Although, the structure of oligomycin A (1) was confirmed by spectroscopic and chemical evaluations, some crystallographic data cast doubt on the originally adopted structure of the side 2-hydroxypropyl moiety of this antibiotic. It was suggested that the side chain of the oligomycin is enol-related (2-hydroxy-1-propenyl). To clarify this matter we synthesized and evaluated 33-dehydrooligomycin A (2) prepared by the Kornblum oxidation of 33-O-mesyloligomycin A (3) by dimethyl sulfoxide. NMR data for 33-dehydrooligomycin (2) and results of quantum chemical calculations have shown that this derivative exists in the keto rather than in the enol tautomer 2a. The in vitro antimicrobial activity of 2 was approximately two times weaker in comparison with oligomycin A against Streptomyces fradiae ATCC-19609 and reference Candida spp. strains and similar activity against certain filamentous fungi. The docking binding estimate of 2 with FOF1ATP synthase showed a slight decrease in binding affinity for 2 when compared with oligomycin A; that correlated with its activity against S. fradiae ATCC 19609 that is supersensitive to oligomycin A. The in vitro antiproliferative activities of 2 are also discussed.

The paper considers an innovative solution of University infrastructure digitalization based on the implementation of an original stack of information technologies. The proposed solution includes students, teachers, and university employees' identification, adaptive acquiring in multiple sales points, digital library and smartphones mobile application. Student identification is connected with banking card that improves an opportunity of the interaction in virtual educational space. Some services are provided for parents to monitor and control the students' financial operations and academic progress. Special intelligent module is introduced for coordination and decision-making support. Research conclusions and recommendations are illustrated by the implementation results in Samara State Technical University.

The article analyzes the possibilities of using Earth remote sensing (ERS) indices for monitoring the state of the environment. The possibility of using remote sensing indices for monitoring and forecasting the state of water bodies and watercourses, their hydrological characteristics was assessed. Within Samara region, the possibility of using the Modified Normalized Difference Water Index (MNDWI) to assess the water saturation of the Saratov reservoir in the Vasilievsky Islands area was considered. This territory was chosen due to the fact that it is sufficiently indicative for assessing changes in the hydrological regime of the reservoir. The processing of multispectral images taken by the Sentinel-2 satellite was carried out on the basis of green and short-wavelength spectral channels. The area of the water surface was calculated based on the number of binary pixels of the processed images. In accordance with the calculations, it was revealed that the area of the Saratov reservoir in the Vasilievsky Islands area has increased. At the same time, it was noted that the area of the water surface of small water bodies that have no connection with the reservoir has increased. The results obtained showed a high efficiency of monitoring changes in the hydrological regime of the reservoir when using the MNDWI.

We have developed an effective method for the synthesis of 4,11-diaminoanthra[2,3-b]furan-5,10-dione and 4,11-diaminoanthra[2,3-b]-thiophene-5,10-dione derivatives based on the substitution of 4,11-alkoxy groups with n-butylamine and subsequent oxidative dealkylation of n-butylamino groups via treatment with tetrabutylammonium hydroxide in DMSO.

Triarylmethane derivatives are extensively investigated as antitumor and antibacterial drug candidates alone and as photoactivatable compounds. In the series of tris(1-alkylindol-3-yl)methylium salts (TIMs) these two activities differed depending on the length of N-alkyl chain, with C4-5 derivatives being the most potent compared to the shorter or longer chain analogs and to the natural compound turbomycin A (no N-substituent). Given that the human serum albumin (HSA) is a major transporter protein with which TIMs can form stable complexes, and that the formation of these complexes might be advantageous for phototoxicity of TIMs we determined the quantitative parameters of TIMs-HSA binding using spectroscopic methods and molecular docking. TIMs bound to HSA (1:1 stoichiometry) altered the protein's secondary structure by changing the α-helix/β-turn ratio. The IIa subdomain (Sudlow site I) is the preferred TIM binding site in HSA as determined in competition experiments with reference drugs ibuprofen and warfarin. The values of binding constants increased with the number of CH2 groups from 0 to 6 and then dropped down for C10 compound, a dependence similar to the one observed for cytocidal potency of TIMs. We tend to attribute this non-linear dependence to an interplay between hydrophobicity and steric hindrance, the two key characteristics of TIMs-HSA complexes calculated in the molecular docking procedure. These structure-activity relationships provide evidence for rational design of TIMs-based antitumor and antimicrobial drugs.

The paper presents the validation results of the InSAR method for determining the forest canopy height, based on TanDEM-X and ALOS PALSAR data. The research conducted on the territory of the Baikal-Kudara forest area of the Republic of Buryatia (52°10'N, 106°48'E). Forest vegetation is represented mainly by conifers – pine, and spruce, with a small admixture of deciduous trees – aspen, birch, etc. The forest vegetation height was determined by subtracting the digital elevation model (DEM) of the digital terrain model (DTM). DEM is built according to the L-band (wavelength of 23.5 cm) ALOS PALSAR satellite with horizontal co-polarization mode. In the investigation it was assumed that a radar signal of ALOS PALSAR passes all forest thickness and reflected from the underlying surface, made it possible to recover terrain under forest canopy. DTM has been built using the TanDEM-X data (wavelength 3 cm). In this case, it was assumed that the radar echoes scattered from a some virtual phase centers of scattering surface, which characterizes the upper limit of the continuous forest canopy. To check the accuracy of satellite definitions of forest height in study area were made high-precision geodetic measurement of trees heights using electronic total station and the coordinates of geographic control points using differential GPS receivers. The discrepancy between the satellite and ground-based measurements at 11 test sites did not exceed 2 m, which is mainly due to the difference in measurement techniques: height of individual trees by ground methods and continuous forest canopy height using radar interferometry.

In this article, we describe the synthesis of 3-phenylquinoxaline-2-carbonitrile 1,4-dioxides bearing cyclic diamine residues at positions 6 or 7; the synthesis is based on the nucleophilic substitution of halogens. All synthesized 6(7)-aminoquinoxaline-2-carbonitrile 1,4-dioxides 3-6 demonstrated higher cytotoxicity and hypoxia selectivity compared to the reference agent tirapazamine against breast adenocarcinoma cell lines (MCF7, MDA-MB-231). The structure and position of the diamine residue considerably affects the antiproliferative properties of the quinoxaline-2-carbonitrile 1,4-dioxides. The introduction of a halogen atom at position 7 in the quinoxaline ring of 4a considerably increases the cytotoxicity of compounds 5a and 6a under both normoxic and hypoxic conditions. However, the most hypoxia-selective derivatives were non-halogenated 7-aminosubstituted 3-phenylquinoxaline-2-carbonitrile 1,4-dioxides 3a-j. Of the 32 novel synthesized derivatives, approximately 20 of the 6(7)-amino-3-phenylquinoxaline-2-carbonitrile 1,4-dioxides demonstrated high antiproliferative potency against wild type leukemia cells K562 and drug-resistant subline K562/4 with the expression of p-glycoprotein (p-gp) compared to the reference agent doxorubicin, which exhibited one order of magnitude lower activity towards K562/4 cells than towards K562 cells. Lead compounds 5a and 3f inhibited HIF-1α expression and activity and induced apoptosis in hypoxic tumor cells, which was confirmed by poly(ADP-ribose)polymerase (PARP) cleavage. Moreover, 5a and 3f showed strong antiestrogenic potencies in MCF7 breast cancer cells. Thus, the described series of quinoxaline 1,4-dioxides has high anticancer potential and good aqueous solubility. Therefore, these compounds are promising for further drug development of hypoxia-targeted anticancer agents.

This article considers the basic principles of designing systems for monitoring engineering structures (SMESs) of hazardous production facilities, which have been formed based on the implementation of engineering designs of the SMESs of a number of large industrial oil-refining facilities. The proposed principles for designing SMESs as complex information diagnostic systems are based on strict logical structuring of huge volumes of information on monitoring objects: design documentation for the object itself and the automated process control system (APCS), safety and metrological provision requirements, and normative and technical documentation. It is shown that the basic stages and principles of SMES design can be formalized and logically described using the instrument of structural schemes.

In continuation of studies on the development of low-waste technologies for comprehensive utilization of oil production and refining waste, a method has been proposed for enhancement of the adhesive properties of secondary asphalt binders by introducing into their composition new amidoamine adhesive additives synthesized from soap stock, vegetable oil processing waste.

15, 16, and 17-Membered lactones based on the bis-3,4(indol-1-yl)maleimide framework were obtained using intramolecular esterification reaction starting from 3-(1-ω-carboxyalkyl-2,3-dihydroindol-1-yl)-4-(1-ω-hydroxyalkyl-2,3-dihydroindol-1-yl)-maleimides. 3,4-Dibromo-maleimide, ω-(2,3-dihydroindol-3-yl)alkanoic acids, and ω-(2,3-dihydroindol-3-yl)alkanoles were used as starting compounds. Substitution of Br for the substituted indolines followed by the intramolecular cyclization of O-silylated hydroxyl acids derivatives led to macrolactones that incorporated 4-(dihydroindol-1-yl)-3-(indol-1-yl)maleimide moieties. Indoline nuclei in these compounds were dehydrogenated by DDQ in refluxing toluene to give 15, 16 or 17-membered lactones 3-[(ω-3-carboxyalkylindol-1-yl)-4-(ω-hydroxyalkylindol-1-yl)maleimides. Quantum chemical calculations showed that the formation of macrolactones of smaller size (13-membered) corresponds to the higher Gibbs energy ΔG# and correlates with the absence of the target reaction product.

This paper presents results of a spaceborne radar interferometry technique application for land subsidence observations in a coal mining area in Kuzbass, Russia. Joint analysis of radar interferometry measurements with simultaneous seismic observations shows that the land subsidence is triggered by seismic events, both natural and caused by human underground activity. Surface displacements are linked typically to the boundaries of block structures and correlate with the location of clusters of seismic events.

A series of olivomycin A derivatives containing different combinations of the acyl residues in the carbohydrate chains was obtained. The formation of complexes of Mg(2+)-coordinated dimers of these compounds with double-stranded DNA was studied using spectral methods such as absorption, fluorescence and circular dichroism (CD) spectral analyses. There was a good correlation of the values of binding constants of complexes (antibiotic)2Mg(2+)-DNA, the quantum yields of fluorescence and changes of the induced CD spectra with topoisomerase I inhibition and cytotoxicity. We demonstrate that the presence of the acyl groups in the saccharide residues of olivomycin A derivatives is absolutely necessary for a high cytotoxic potency of these antibiotics. On the basis of the experimental results and quantum chemical calculations, we presume that the acyl residue in the 4-O-position in the A-sugar residue is involved, to the most part, in the antibiotic-antibiotic interactions in the (olivomycin)2Mg(2+) dimers, whereas the O-acyl group in E-olivomicose residue largely participates in the formation of the (olivomycin)2Mg(2+)-DNA complexes.

The possibility of involvement of diesel fractions obtained from petroleum waste in hydrotreating feedstock for the manufacture of diesel fuels that meet the Euro-4 and Euro-5 standards has been studied. The hydrogen treatment of a mixed feedstock, composed of diesel fractions of oil sludge (DFS), straight-run diesel fraction (SDF), and light catalytically cracked gas (LCCGO), conducted in a laboratory flow unit using the HTRU-120 CoMo/Al2O3 catalyst (340–360°C, 3.5 and 4.0 MPa, LHSV of 1.5–2.0 h−1, the hydrogen : feedstock ratios of 350 and 500 nL/L) has revealed that DFS can be used as a feedstock component for hydrotreating units used to manufacture diesel fuel that meets the Euro 4 and Euro 5 standards. If the process parameters of severe hydrogen treatment are maintained, as large an amount of DFS as 5 wt % can be involved in the hydrotreating unit feedstock. The samples of stabilized hydrogenation products obtained from this feedstock meet all the requirements of GOST (State Standard) R 52368-2005.

A series of amides of the antifungal antibiotic amphotericin B (AmB) and its conjugates with benzoxaboroles was tested to determine whether they form pores in lipid bilayers and to compare their channel characteristics. The tested derivatives produced pores of larger amplitude and shorter lifetime than those of the parent antibiotic. The pore conductance was related to changes in the partial charge of the hydrogens of the hydroxyl groups in the lactone ring that determined the anion coordination in the channel. Neutralization of one of the polar group charges in the AmB head during chemical modification produced a pronounced effect by diminishing the dwell time of the polyene channel compared to modification of both groups. In this study, compounds that had a modification of one carboxyl or amino group were less effective in initializing phase separation in POPC-membranes compared to derivatives that had modifications of both polar groups as well as the parent antibiotic. The effects were attributed to the restriction of the aggregation process by electrical repulsion between charged derivatives in contrast to neutral compounds. The significant correlation between the ability of derivatives to increase the permeability of model membranes-causing the appearance of single channels in lipid bilayers or inducing calcein leakage from unilamellar vesicles-and the minimal inhibitory concentration indicated that the antifungal effect of the conjugates was due to pore formation in the membranes of target cells.

Detection of aminoglycoside antibiotics by MS or HPLC is complicated, because a) carbohydrate molecules have low ionization ability in comparison with other organic molecules (particularly in MALDI-MS), and b) the lack of aromatics and/or amide bonds in the molecules makes common HPLC UV-detectors useless. Here, we report on the application of a previously developed method for amine derivatization with tris(2,6- dimethoxyphenyl)carbenium ion to selective modification of aminoglycoside antibiotics. Only amino groups bound to primary carbons get modified. The attached aromatic residue carries a permanent positive charge. This makes it easy to detect aminoglycoside antibiotics by MS-methods and HPLC, both as individual compounds and in mixtures.

The antibiotic oligomycin A in the presence of K(2)CO(3) and n-Bu(4)NHSO(4) in chloroform in phase-transfer conditions afforded a novel derivative through the initial retro-aldol fragmentation of the 8,9 bond, followed by further transformation of the intermediate aldehyde. NMR, MS and quantum chemical calculations showed that the novel compound is the acyclic oligomycin A derivative, in which the 8,9 carbon bond is disrupted and two polyfunctional branches are connected with spiroketal moiety in positions C-23 and C-25. The tri-O-acetyl derivative of the novel derivative was prepared. The acyclic oligomycin A derivative retained the ability to induce apoptosis in tumor cells at low micromolar concentrations, whereas its antimicrobial potencies decreased substantially. The derivative virtually lost the inhibitory activity against F(0)F(1) ATP synthase-containing proteoliposomes, strongly suggesting the existence of the target(s) beyond F(0)F(1) ATP synthase that is important for the antitumor potency of oligomycin A.

The article presents a case of Q-wave myocardial infarction, in a young woman of 35 years old. The patient complained. of pains not typical for angina pectoris. Therefore, the initial diagnosis was incorrect. After 3 months myocardial infarction, of cicatrization, stage was diagnosed. For definition, of further tactics of treatment we used, coronary angiography and recommended, stenting of critical stenosis on left anterior descending artery. For prophylactics of this case electrocardiography should, be routinely used, in all the cases of pain in the neck and. thorax in young women.

Quantum-chemical calculations have been carried out of heterolytic dissociation energies of a series of tri(1H-indol-3-yl)methylium compounds with different counter-ions within the framework of density functional theory, using the functional B3LYP in the basis 6-31 + G(d). The results obtained have been compared with data calculated for unsubstituted triphenylmethane derivatives (triphenylmethylium chloride and methanesulfonate) and also for tri(4-dimethylaminophenyl)methylium chloride (crystal violet). Ionicity of tri(indol-3-yl)methylium salts is compared with that of crystal violet chloride and triphenylmethane derivatives.

The total energies of reactants, products, and transition states of nucleophilic substitution reactions in protonated tris(indol-3-yl)methane have been assessed with the semiempirical AM1 method and the theory of functional density B3LYP/6-31(d) method. The results of calculations indicated that the reactions proceed by an S N 1-like mechanism, since the activation barrier for it is significantly lower than in the case of the S N 2-like mechanism.

A series of 3-(indol-1-yl)maleimides has been synthesized, substituted at position 2 by residues of amines or various nitrogenous heterocycles. The possibility of obtaining new polycondensed heterocyclic structures from them has been studied. Experimental investigations confirmed theoretical predictions made on the basis of results of quantum-chemical calculations.

Novel derivatives of tris(indol-3-yl)methane and tris(indol-3-yl)methylium salts with the alkyl substituents at the N-atoms of the indole rings were synthesized. An easy substitution of indole rings in trisindolylmethanes for other indoles under the action of acids is demonstrated, and the mechanism of substitution is discussed. To obtain trisindolylmethylium salts, the environmentally safe method of oxidation of trisindolylmethanes with air oxygen in acidic conditions was developed. Tris(1-alkylindol-3-yl)methanes and tris(1-alkylindol-3-yl)methylium salts represent three-bladed molecular propellers whose physico-chemical and biological properties strongly depend on the N -alkyl substituent. The cytotoxicity of novel compounds increased with the number of C atoms in the alkyl chains, with optimal number n = 3–5 whereas the derivatives with longer side chains were less cytotoxic. The most potent novel compounds killed human tumor cells at nanomolar-to-submicromolar concentrations, being one order of magnitude more potent than the prototype antibiotic turbomycin A [tris(indol-3-yl)methylium salt]. Apoptosis in HCT116 colon carcinoma cell line induced by tris(1-pentyl-1 H -indol-3-yl)methylium methanesulfonate was detectable at concentrations tolerable by normal blood lymphocytes. Thus, N -alkyl substituted tris(1-alkylindol-3-yl)methylium salts emerge as perspective anticancer drug candidates.

The level of glycemia, contents of free radical oxidation products (thiobarbituric acid reactive substances, oxidatively modified proteins) have been investigated in blood plasma and heart of rats with diabetes mellitus subjected to chronic alcohol intoxication. Preexisting diabetes mellitus had no influence on the effect of chronic alcohol consumption on the blood plasma levels of oxidatively modified proteins, thiobarbituric acid reactive substances and glucose. However, the contents of thiobarbituric acid reactive substances and products of oxidative modification of proteins were significantly higher in hearts of diabetic rats with chronic alcohol intoxication than in diabetic rats without alcohol intoxication or in rats subjected to chronic alcohol treatment. The alcohol-induced hyperactivation of free radical processes found in the heart may have additional damaging effect.

The azo coupling of the antibiotic olivomycin I (1) with aryl diazonium tetrafluoroborates produced 5-aryldiazenyl-6-O-deglycosyl derivatives of 1. The structures of new compounds were confirmed by (1)H NMR and mass spectrometry analysis. A quantum-chemical study was performed to analyze the possible directions of electrophilic substitution of 1 and the easiness of 6-O-disaccharide hydrolysis in the course of azo coupling. The antiproliferative and anti-retroviral activities of novel derivatives were studied.

The geometric parameters, the charge distribution, and the energetics of N-methyl-2-(N-ethylanilino)-3-(indol-1-yl)-and N-methyl-2-(N-ethylanilino)-3-(indol-3-yl)maleimides and their conjugated acids were studied by density functional theory calculations at the B3LYP/6-31G(d) level. The mechanism of the tandem hydride transfer/cyclization sequence, which occurs after protonation of N-methyl-2-(N-ethylanilino)-3-(indol-1-yl)-and N-methyl-2-(N-ethylanilino)-3-(indol-3-yl)maleimides, was analyzed. The investigation of the potential energy surface for the tandem hydride transfer/cyclization of the iminium cation that formed upon protonation revealed that the hydride transfer followed by intramolecular cyclization at position 7 of the indole fragment in N-methyl-2-(N-ethylanilino)-3-(indol-1-yl)maleimide is the preferable process, unlike alternative intramolecular cyclization involving the cationic center at the C(2) atom of the indole fragment and the benzene ring of the N-ethylaniline fragment of the indoleninium cation in N-methyl-2-(N-ethylanilino)-3-(indol-3-yl)maleimide. A study of the key intermediates of the assumed reaction mechanism demonstrated that these intermediates are actually stationary points on the potential energy surface (minima and transition states).

Intramolecular cyclization reactions of 3,4-bis(indol-3-yl)maleimides 1, 3-(indol-1-yl)-4-(indol-3-yl)maleimides 2, and 3,4-bis(indol-1-yl)maleimides 3 under the action of protic acids were studied in order to estimate the parameters of the interaction between protonated and unprotonated indole moieties. Geometric parameters, charge distributions, energy characteristics, and information concerning the frontier orbitals of bisindolylmaleimides 1–3 were obtained from density functional B3LYP/6-31G(d) quantum chemical calculations. Alternative pathways of protonation of bisindolylmaleimides with differently bonded indole and maleimide moieties were studied and pathways of cyclization of corresponding conjugated acids leading to polyannelated compounds were analyzed. All the key intermediates of the cyclization reactions correspond to stationary points on the potential energy surfaces (minima and transition states). Analysis of the potential energy surfaces revealed almost linear dependences of the activation energies of the cyclization reactions under study on the distances between the reaction centers, on the angle of approach of intramolecular electrophile, and on the energy gap (energy difference between frontier orbitals). The key role in the cyclization reactions is played by structural similarity between the starting indoleninium cations and the activated complexes of the reactions under study.