Search

The Zn1.9Cu0.1SiO4 pigment was obtained by two variants of “soft” chemistry methods: using sol–gel synthesis in ethanol from TEOS and zinc and copper acetates and by coprecipitation of hydroxosilicate from an aqueous solution of zinc acetate and copper formate with sodium silicate. Thermal behavior of precursors, characterization of intermediate and final synthesis products were carried out by DSC, XRD, electron microscopy, colorimetry, IR, and UV-Vis-NIR spectroscopy. It is shown that the sequence of the phase formation of the synthesis product is determined by the characteristics of the initial solutions. It was established for the first time that when using the sol–gel method, the sequence of structural transformations is caused by the removal of the organic components and the destruction of the three-dimensional polymer network ≡Si–O–Si≡. In the coprecipitation method, crystallization occurs after the removal of the organic components and structurally bound water. It is shown that a feature of this method is the simultaneous crystallization of two structural modifications Zn1.9Cu0.1SiO4, the metastable phase transforms into the willemite structure with a further increase in the temperature. It was found that well-crystallized single-phase Zn1.9Cu0.1SiO4 samples synthesized by these methods can be obtained by annealing at 800 °C for 10 h. The differences in the shape of the samples depend on the morphological and dimensional variations of the particles. UV-Vis-NIR spectra show the broad band with a maximum at about 760 nm corresponding to two electronic d–d transitions: 2B1g → 2Eg and 2B1g → 2B2g.

AIM to study the role of P2 receptors in impaired bladder contractility in patients with lower urinary tract obstruction. MATERIALS AND METHODS in pharmacological studies, tissue samples from the bladder wall of 30 patients were used, obtained during planned surgical interventions for benign prostatic hyperplasia (transvesical simple prostatectomy without placement of cystostomy tube). Based on these tissue, isolated smooth muscle specimens were prepared. Their mechanical activity and the efficiency of ligands of purine P2 and other receptors were evaluated. With this aim, the following P2-receptor agonists were used: adenosine triphosphoric acid (ATP), adenosine diphosphoric acid (ADP), uridine-5'-triphosphoric acid (UTP), alpha, beta-methylene-ATP, 2-methylthio-ADP, as well as antagonists of P2-disulfonate receptors acid (PPADS), suramin, NF023, MRS2500. In addition, the efficiency of ligands of other receptors, including carbacholine, epinephrine, histamine, serotonin, atropine was evaluated. RESULTS the most effective agonist was alpha-beta-methylene-ATP, while ATP and 2-methylthio-ADP were significantly less active. In our experiments, ADP and UTP did not show an effect on human bladder. The influence of P2 receptor agonists was inhibited by P2 receptor antagonists PPADS and suramin, as well as MRS2500, although to a lesser extent. Carbacholine caused a strong concentration-dependent contractile response of the bladder, which was inhibited by atropine. Histamine resulted in mild bladder contractions only at high concentrations. Epinephrine and serotonin did not cause significant changes in the contractile activity of the bladder. CONCLUSION The main subtype of P2 receptors involved in the contractile activity of the human bladder is P2X1 receptors. P2Y1 receptors also have some influence on the contraction, while other subtypes of P2 receptors are not detected by pharmacological methods.

Graphical abstract We describe the total flow synthesis of the widely prescribed anti-inflammatory COX-2 inhibitor Celecoxib from 2-bromo-3,3,3-trifluoropropene, as a convenient and available trifluoromethyl building block, to generate trifluoropropynyl lithium and to trap it immediately with an aldehyde. Oxidation of the obtained alcohol into ketone followed by condensation with 4-sulfamidophenylhydrazine afforded the targeted drug with full regioselectivity. It is noteworthy that the quality of these flow reactions (50% overall yield within 1 h cumulated residence time over 3 steps) directly furnished the target API and intermediates with excellent purity. Supplementary Information The online version contains supplementary material available at 10.1007/s41981-021-00205-x.

Changes in the fatty acid (FA) composition of total lipids of Pinus sylvestris needles at different pollution levels caused by emissions from a large aluminum smelter (BrAS) have been studied. In the needles of trees from unpolluted (background) territories, the FA spectrum is represented by 24 acids with prevalence of unsaturated FAs (71.6%). The main unsaturated FA are represented by oleic (C18: 1ω9), linoleic (C18: 2ω6), and α-linolenic (C18: 3ω3) acids. Under the influence of BrAS emissions, the total amount of identified FAs in the needles and the proportion of unsaturated FAs decrease, while the fraction of saturated FAs, on the contrary, increases from 25.4% in unpolluted needles to 33.2% in polluted ones. The content of palmitic FA (C16:0) in the needles exceeds background values by 1.5 times, behenic acid (C22:0) – by 1.6–2.5 times, arachidic acid (C20:0) – by 1.5 times, palmitic margaric acid (C17:0) – by 1.5–2.3 times. These FAs play the important role in the protection of plant membranes from the effects of abiotic stress factors, making them less permeable. The sum of short-chain saturated FAs (C12:0, C14:0, C15:0) increase by 4.8 times in needles of trees that are highly polluted. Pentadecanoic (C15:0) acid is found in the needles only in the background areas and at the low pollution level. With a more severe pollution, C15:0 is not identified, but lauric acid with the cis-configuration of double bonds in the structure (izo-C12:0) appears. The presence of “relict” ∆5-polymethylene FAs in the composition of pine needle membrane lipids is determined. In the background areas, they account for 12.9% of the total FAs. With the industrial pollution intensification, their total content increases and reaches 14.1%. ∆5-polymethylene FAs are also able to protect membranes against negative influences. Thus, changes in the quantitative and qualitative FA composition of pine needle total lipids indicate the activation of the stabilization mechanisms of membrane lipids due to their tight packing in a bilayer. It is one of the adaptive reactions of Pinus sylvestris in response to the impact of the aluminum industry emissions.

Milk-containing products occupy a large place in the range of popular products. Replacing milk fat or protein with vegetable fat can reduce the biological value of the product and its organoleptic properties. the effect of direct application starter cultures on raw materials that use functionally necessary ingredients (structure-forming agents, salt, sugar, etc.), food additives (thickeners, stabilizers, preservatives, etc.) and a variety of non-dairy components (non-dairy fats, non-dairy proteins, meat products, fruits, vegetables, spices, herbs, nuts, etc.) is ambiguous. The paper deals with the use of homogeneous and combined starter cultures in the production of fermented milk products from natural and normalized milk and milk-containing mixtures with a substitute for milk fat. The introduction of components of plant origin into the product leads to a decrease in the content of milk protein in the mixtures, which in turn leads to the formation of clots with a non-uniform consistency. Slow acid formation in milk-containing mixtures indicates a decrease in milk sugar in them with this type of normalization in fat, relative to the normalized milk according to the classical technology. This pattern was revealed both when using starter cultures on lactic acid thermophilic streptococci, and on combined starter cultures. In this paper, it is proposed to use Streptococcus salivarius subsp in ferments for milk-containing mixtures. thermophilus strain ST-95. The introduction of the ST-95 strain into the starter culture made it possible to obtain from the milk-containing mixture a fermented milk product with well-pronounced organoleptic properties, a stable clot structure and sufficiently high taste properties. The greatest positive effect was obtained on combined ferments.

Mitochondrial dysfunction, which may be due to excessive generation of toxic forms of oxygen and nitrogen in oxidative stress, is one of the risk factors for a wide range of pathologies. Reactive oxygen species (ROS) and reactive nitrogen species are continuously generated in living organisms by enzymes and redox processes, such as the iron-catalyzed Fenton and Haber–Weiss reactions. Literature data demonstrate the relationships between ferritin metabolism, ROS, nitric oxide, and dinitrosyl iron complexes (DNICs) and indicate that DNICs play an important role in antioxidant defense mechanisms. Pro-oxidant and antioxidant properties of DNICs and ferritin were studied in two superoxide-generating systems, heart mitochondria and a xanthine–xanthine oxidase system, by EPR spin trapping, spectrophotometry, and polarography. DNICs with glutathione ligands were shown to intercept reactive free radicals in the systems, which simulate oxidative stress in cardiac muscle cells. Ferritin stimulated DNIC destruction in the same conditions. These findings suggest antioxidant and antiradical effects for DNICs and a pro-oxidant effect for ferritin.

Aim. To determine the role of the acetate in the persistence of indigenous bifidobacteria in the colon biotope through the lysozyme resistance in model conditions of the acetylation–deacetylation of peptidoglycan.Materials and methods. The study was performed on 16 strains of the two indigenous bifidobacteria speсies: Bifidobacterium bifidum и Bifidobacterium longum subsp. longum. Bifidobacteria was cultivated in the 0.6% O2 and 9% CO2 atmosphere at the temperature 37ºС in CO2 incubator for 48 hours. The production of the acetate by the bifidobacteria was determined by gas chromatography. The effect of the acetate on the lysozyme resistance of non-indigenous gram-positive bacteria was determined on the Listeria monocytogenes ICIS-280 model strain by the cultivation in LB-Lennox broth with ammonium acetate added in the concentration range matching the concentrations produced by the studied bifidobacteria, in lysozyme serial dilutions at final concentrations 5 μg/ml to 40 μg/ml within 24 hours.Results. It was found that the acetate release of Bifidobacterium longum subsp. longum was on average two times higher that of Bifidobacterium bifidum (27.0 and 14.7 mmol/liter, respectively) and was quite consistent with the concentrations of acetic acid determined in the intestinal contents (up to 50 mmol/liter). Cultivation of bifidobacteria in a medium with lysozyme, ammonium acetate and their combination did not have a significant impact on their growth parameters at the maximum used concentrations of these substances. In the test strain, the addition of ammonium acetate in the range created by bifidobacteria caused a decrease in the minimum inhibitory concentration of lysozyme by more than two times — from 40 μg/ml to less than 20 μg/ml. In the control medium without lysozyme, no inhibition of the growth of the indicator culture was observed up to the maximum concentrations of ammonium acetate.Conclusion. The mechanism of persistence (survival) of indigenous bifidobacteria in the human intestinal biotope has been identified, which is associated with the production of acetic acid at a level that selectively suppresses lysozyme resistance of non-indigenous gram-positive microbiota viareversible deacetylation of peptidoglycan. This allows indigenous bifidobacteria to maintain a stable dominant position in the biotope.

The article analyzes the work of the department for the conversion of carbon monoxide with water vapor to hydrogen as part of the ammonia synthesis unit. The effect of temperature and duration of operation of the medium-temperature conversion catalyst on the technical and technological parameters of the process is shown. The catalytic conversion of carbon monoxide is an important component of the hydrogen production process in the industrial technology of deep processing of natural gas. In modern ammonia synthesis units, the conversion process takes place in two stages: first, at a temperature of 360 – 430 °C on iron-chromium, and then at 190 – 260 °C on a copper-containing catalyst. It was found that along with the main products (H2, CO2), the presence of undesirable impurities of ammonia, amines, alcohols, acetates and formates was detected in the synthesis gas. It is shown that the main by-product at the stage of medium-temperature conversion is ammonia, the content of which in the condensate reaches 80-85%. Methanol is formed as a by-product both at the stage of medium-temperature (9-13%) and low-temperature conversion (87-91%). Most of the methanol generated during the conversion process is condensed with water in separators, while the rest goes to the CO2 removal system. In the separator, where the temperature is 160-162 °C, on average 68% of methanol remains in the gas phase, and in the separator, where deeper gas cooling is applied to 72 °C, about 81% of methanol remains in the condensate. To decrease the methanol content, it is necessary to lower the conversion temperature and increase the gas space velocity. Under the conditions of ammonia production from methanol and ammonia, a mixture of amines of varying degrees of substitution is formed, predominantly methylamine (CH3)NH2 and demytylamine (CH3)2NH2. Moreover, about 35-40% of the formed amines goes into condensate, and most of it remains in the gas phase and goes to the stage of cleaning from CO2. In the production of ammonia, solutions based on potash - K2CO3 are used to clean the converted gas from CO2, which absorb organic impurities, which are formed mainly at the stage of low-temperature conversion. Impurities impair the operation of the purification stage and cause foaming of solutions. One of the reasons for foaming is the presence of organic matter degradation products in the solution.

Using optical spectroscopy, we have studied the models of lipid peroxidation in mitochondrial membranes isolated from the hearts of rats. The oxidative efficiency of tested iron-containing complexes was assessed by the level of TBA-reactive compounds formed in the samples as the main secondary products of peroxidation. EPR spectroscopy of spin labels was used to study the changes in structural and conformational characteristics of mitochondrial membrane lipids in the presence of oxidation initiators. Mitochondrial suspensions were incubated with prooxidants, mostly myoglobin and cumene hydroperoxide, to detect the changes. In this study, we used spin labeled molecules of 5-doxylstearic and 16-doxylstearic acid with paramagnetic NO-fragments attached to different sites of the hydrocarbon chain. With the use of oxidation models, it was possible to obtain preparations of mitochondrial membranes with different degrees of oxidative modification. It was found that the combination of the initiators of oxidation, i.e., cumene hydroperoxide (or tert-butyl hydroperoxide), resulted in the failure of paramagnetiс centers of the spin-labeled membrane.

The aim of this study was to establish the mechanisms of action of a novel liposomal nitric oxide (NO) carrier on large-conductance Ca2+-activated channels (BKCa or Maxi-K) expressed in vascular sm...

Chitosan-modified magnetic nanoparticles are a promising basis for the creation of new diagnostic agents and therapeutic drugs. The cells of erythroid, granulocytic, monocytic, lymphocytic, and megakaryocytic lineages of bone marrow of mature rats were investigated for 120 days after single injection of 0.14 g per 1 kg body weight chitosan-modified magnetic nanoparticles (Fe3O4). Light microscopy was applied to describe the structure of hematopoietic cells and morphometric study was performed on Romanowsky—Giemsa stained smears to measure cells size (µm) and relative number (%). Comparison of the biological effects of nonmodified and modified magnetite nanoparticles on hematopoietic cells of bone marrow revealed the advantages of modification. Chitosan-modified magnetite nanoparticles did not affect the structure of hematopoietic cells in the rat bone marrow, and their injection produced a reversible increase in the relative number of monocytes, stab neutrophils and segmented neutrophils, as well as polychromatic and oxyphilic normoblasts.

A convenient process is described for the synthesis of novel thiazolo[4,5-b]pyridines fused with triazole or pyrimidine rings. The base-promoted reactions of 2-chloro-3-nitropyridines with 1,3-(S,N)-binucleophiles (triazole-5-thiols, 4-oxopyrimidine-2-thiones) resulted in nucleophilic substitution of the chlorine atom and subsequent S–N-type Smiles rearrangement followed by nucleophilic substitution of the nitro group. Reactions with pyrimidine-2-thiones were carried out as one-pot processes while, in the case of triazole-5-thiols, isolation of intermediate substitution products was found to be preferable.

In recent decades, the chemistry of functionally substituted 1,2,4-triazoles and the fused heterocyclic systems based on them have received significant attention due to their structural and biologi...

The electronic structure of an ultra-thin molybdenum oxide film obtained by oxidation of molybdenum at an oxygen pressure of 1 Torr and the effect of adsorption of sodium atoms on its electronic structure are studied by photoelectron spectroscopy. Photoemission spectra from the valence band and core levels of O 2s, Mo 3d, Mo 3p, and Na 1p are studied upon synchrotron excitation in the photon energy range 80–600 eV. It is shown that in the formed oxide film, molybdenum is in two states: Mo6+ and Mo4+. On the surface of the oxide, oxygen is induced both in the composition of the oxides and in hydroxyl. It was shown that MoO3 is formed on the surface, and MoO2 at a distance from the surface. The deposition of Na atoms leads to intercalation of the molybdenum oxide layer.

A study of the influence of sires of Holstein breed on their daughters’ milk productivity, development and milk physical and chemical characteristics was conducted. The study was carried out in Krasnoyarsk Territory on red-and-white cows of the first and second lactations – daughters of three sire bulls: Arsenal, Zaryad and Veles. It was established that sires affect their daughters’ daily milk yield, lactose content in milk and milk solids non-fat (MSNF). The difference in traits between individual groups of bulls’ daughters is statistically significant. Analysis of variance showed that the paratypic factor defined as the age of daughters in lactations had a significant effect on daily milk yield. The genetic factor, that is father's heredity, influenced only the content of urea in daughters’ milk. Analysis of the correlation between daily milk yield and physical and chemical properties of milk revealed reliable correlated response of weak strength: in the daughters of the Arsenal bull (the second current lactation) it was between the traits of daily milk yield and protein, in the daughters of the Veles bull (the same lactation) it was between the traits of daily milk yield and MSNF, and daily milk yield and the freezing temperature of milk (FTM). In cows of the first lactation, a strong correlation was found between some physical and chemical properties of milk, such as fat and urea, urea and FTM, and MSNF and FTM. In cows of the second lactation, a strong correlation was found between the following traits of milk: protein and MSNF, protein and dry matter, lactose and MSNF, MSNF and urea, and some others. It is shown that sires of Holstein breed have an impact on certain productivity parameters of their cowdaughters. It is recommended to use the bull Arsenal 8492 more widely to increase the milk yield of their daughters, and Veles 5417 – to improve the quality of milk of their daughters.

BACKGROUND AND OBJECTIVE: A computational model has predicted parameters for using a navigated microsecond pulsing laser system to treat central serous chorioretinopathy (CSC). PATIENTS AND METHODS: A prospective, single-center, interventional case series was conducted for patients with acute CSC who were enrolled following screening and informed consent. Treatment involved laser pulse duration of 50 μs, 2.4% Duty Cycle, 100 μm spot size, and 10 ms pulse duration. RESULTS: Average best-corrected visual acuity (decimal) of 12 patients improved from 0.86 ± 0.03 at baseline to 0.97 ± 0.01 at 3 months. Baseline central retinal thickness decreased from 452.58 μm ± 24.53 μm at baseline to 249.25 μm ± 2.92 μm at 3 months. Retinal sensitivity improved from 24.1 dB ± 1.09 dB at baseline to 28.98 dB ± 0.23 dB at 3 months. In all cases, subretinal fluid was resorbed. CONCLUSION: The parameter sets derived from the computer model can be applied safely and effectively for CSC treatment using the navigated microsecond pulsing laser system. [ Ophthalmic Surg Lasers Imaging Retina . 2020;51:512–520.]

This study provides a comparative characterization of the structural parameters and cytotoxicity of zinc halide and copper(II) bromide complexes with caffeine (caf) of the composition [Zn(caf)(H2O)X2] (X = Cl, Br, I) and [Cu(caf)2Br2] (1). The cytotoxicity of the complexes is dose-dependent in all cell lines. The concentrations of the complexes, at which they are more cytotoxic against cancer cells (MCF-7) than against stem cells (DPSC), were determined. The synthesized complexes exhibited synergism of cytotoxicity.

The article describes and presents the results of research in the selection of direct-application ferments containing lactic acid bacteria and lactic streptococci to optimize the production process of hard cheeses "Melkorisunchatyj 1" and "Melkorisunchatyj 2". The research objects were selected starter cultures of direct application of DSS-275 by " Chr. Hansen" (Denmark) and mos 066 C of Sacco s.r.l (Italy). Based on the results of trial workings, recommendations are given for the use of starter cultures to produce hard cheeses with a small pattern. The possibilities of using direct starter cultures in the production of hard cheeses were studied. As objects of research, conditionally named cheeses "Melkorisunchatyj 1" and "Melkorisunchatyj 2", starter compositions and a milk-clotting preparation were selected. For hard cheeses with fine patterns, the most suitable starter cultures are those consisting of a complex of lactic acid bacteria and milk streptococci. To obtain cheeses with improved organoleptic characteristics, direct starter cultures DSS - 275 from Chr. Hansen "(Denmark) and MOS 066 C of the company" Sacco s.r.l "(Italy). Frozen starter cultures were reconstituted in warm milk and then added to the mixture after filling the bath. A solution of the milk-clotting enzyme was introduced after an increase in titratable acidity by 1.3–1.5 ° T. Good quality cheese was obtained at pH 5.5 at the end of self-pressing. For hard cheeses, it is advisable to use starter cultures combining lactic acid and aromatizing microorganisms.

The antioxidant capacity (AOC) of water–alcohol tinctures of medicinal plant materials, vitamins, and vitamin complexes was investigated. The accuracy indicators for determining the antioxidant capacity of these samples are found; the accuracy of the measurement results is examined using a sample of ascorbic acid with a known concentration of the main component. The relative measurement error of the antioxidant capacity of herbal and synthetic medications does not exceed 10%.

The course of viral diseases is accompanied by excessive generation of active oxygen metabolites, so the effectiveness of treatment can be improved by combining antiviral and antioxidant therapy. There was a screening of antioxidant properties of 6-nitro-1,2,4-triazoloazine-modified fragments of natural polyphenols (catechol, pyrogallol, phloroglucinol, resorcinol) which are potential dual-action combination preparations. Screening was carried out using various approaches: the study of redox transformations by cyclic voltammetry, determination of antioxidant capacity with oxidizing agents of a radical and non-radical nature by the potentiometric method using potassium hexacyanoferrate (III) and optical methods (the Folin assay and the DPPH assay). It has been established that molecules obtained by conjugation of polyphenols with heterocycles exhibit antioxidant properties. The exception is adducts of triazolodiazines with resorcinol. A decrease in the antioxidant ability of synthesized adducts relative to initial polyphenols has been noted. The antioxidant capacity has been studied at a number of temperatures (25 °C, 37 °C), and the reaction half-life has been determined. The correlation of antioxidant capacity by a potentiometric assay with the Folin assay was R = 0.71; by a potentiometric assay with the DPPH assay was R = 0.67. Leader compounds have been identified. Graphical abstract.

The decay paths of negative molecular ions of phosphate esters, formed under the conditions of resonance electron capture, are of the same type and, therefore, predictable. A combination of mass spectra of the studied substances obtained by this method with the mass spectra of positive ions recorded in the convential electron ionization mode significantly expands the possibilities of their identification and determination of the characteristics of their molecular structures. In this case, only one mass spectrometer can be used, quickly switched from one mode to another.

Purpose. To carry out molecular ad biological diagnostics and to determine sugarolytic functions of pathogenic bacteria of Agaricus bisporus for accurate identification of their genus and species. Methods. Six bacterial cultures isolated from fruit bodies of white button mushroom produced by some farms in Ukraine were tested vs. reference strain CFBP 2068T Pseudomonas tolaasii as a positive control. There were performed such microbiological tests: for oxidase and catalase activity, for ability to hydrolyze gelatin and to coagulate or peptonize milk, for sugarolytic properties using method of "color series". The tests were carried out with three replications. DNA were extracted from selected isolates of pathogenic bacteria was performed with the Marmur’s modified method. Results. All isolates are gram-negative bacteria that fluoresce on beef-extract agar and beef-extract broth + KNO3, do not hydrolyze gelatin, do not show oxidase activity (except for 4.1), but show catalase activity. The results on sugarolytic properties are as follows: isolate 1.1 uses maltose, lactose, mannitol, galactose, fructose and arabinose with acid formation as the only nutrition source; isolate 2.1 utilizes maltose, glucose (aerobically), xylose, lactose, mannitol, sucrose, fructose, galactose, arabinose; isolate 3.2 does maltose, glucose (aerobically), xylose, lactose, sucrose, fructose, galactose, arabinose; isolate 4.1 does maltose, glucose (aerobically), xylose, lactose, mannitol, sucrose, fructose, galactose, arabinose; isolate 5.1. does glucose, xylose, mannitol, fructose, galactose, arabinose; isolate 6.1 does lactose, mannitol, fructose, galactose, arabinose. There have been were chosen special primers for PCR analysis. Conclusions. The experiments suggest that the isolates studied are pathogenic and morphologically may be attributed to the genus Pseudomonas because they possessive the same morphological and biochemical properties as the reference strain. Identification of total and genomic DNA extracted is confirmed by PCR analysis. The results of the research would help to find effective ways of identifying the pathogens and to prevent spread of the disease during the early stages of the mushroom growth.

Polyamines are present in all living cells and regulate a wide range of biological processes. In Saccharomyces cerevisiae the polyamine oxidase Fms1p converts spermine to spermidine and 3-aminopropionaldehyde, which is necessary for the synthesis of pantothenic acid and hypusination. This paper shows that S. cerevisiae FMS1 gene orthologs are present in all major representatives of the Saccharomycotina subdivision, but their copy numbers are different. In the Komagataella phaffii (Pichia pastoris) yeast, two polyamine oxidase genes (KpFMS1 and KpFMS2) were identified, and the regulation of their promoters activity was studied.

The spatial and electronic structure of 2-methyl-5,7-dinitrobenzo[d]oxazole, which is the substrate for the synthesis of hydride σ-adducts, was studied by the DFT/B3LYP/aug-cc-pVDZ method. Analysis of the charges on the atoms showed that the largest positive NBO charge is concentrated on the carbon atom C2 of the oxazole ring, while the carbon atoms C4 and C6 annelated benzene nucleus have the highest Mulliken charges both in the gas phase and in water. Thus, it has been established that a rigid base, a methoxide ion, is attached to the carbon atom C2, which is a hard reaction center, and a reaction with a soft base, a hydride ion, can also proceed through softer reaction centers — carbon atoms of the benzene ring C4 and C6. The bond lengths calculated by the quantum-chemical method are in good agreement with the experimental data obtained by X-ray diffraction, which confirms the correctness of the choice of the quantum-chemical calculation method. New derivatives of 3-azabicyclo [3.3.1]nonane have been synthesized by Mannich condensation of 2-methyl-5,7-dinitrobenzo[d]oxazole hydride σ-adduct with methylamine and β-aminopropanoic acid. This method is distinguished by relative simplicity, availability of reagents and allows under mild conditions to transfer from the aromatic system activated by nitro groups to 3-azabicyclo[3.3.1]nonane derivatives containing the nitro groups that are promising from the point of view of further functionalization. The structure of the compounds obtained was proved by IR, 1H-, 13C-, two-dimensional correlation NMR spectroscopy, as well as elemental analysis data. It was shown that the compounds obtained can serve as the basis for the creation of hybrid physiologically active compounds containing both a 3-azabicyclononane fragment and an oxazole cycle.

International audience; The catalytic asymmetric synthesis of β‐trifluoromethylated esters or nitriles is reported. The use of an in situ formed chiral Cu−H complex allowed the enantioselective reduction of β‐trifluoromethylated acrylates or acrylonitriles. The reaction proceeds smoothly affording the corresponding enantioenriched products in good to excellent yields and outstanding enantioselectivities (up to 98 % ee). The mechanism of the reaction was studied, and a plausible reaction pathway was suggested accordingly. Finally, the versatility of the products was highlighted through functional group manipulations.

The used methodology of the scientific substantiation of indicators is in the establishment of the conformity of laws of vital activity of indicator and pathogenic microorganisms in the real conditions of the action of the complex of factors, including disinfecting agents. In the one water sample simultaneously there were determined both the general indicator (GICB), thermotolerant (TTCB), glucose positive (GPCB) coliform bacteria, E.coli. On the base of long-term research in the various regions of the Russian Federation, as well with bearing in mind the analysis of domestic and foreign data, comparing the water quality and the incidence of intestinal infections in population it is recommended to use the index of determination of the total number glucose positive coliform bacteria (GPCB), which brings together a much broader range of bacteria of the Enterobacteriaceae family in comparison with total coliform bacteria (TCB) and thermotolerant coliform bacteria (TTCB) and warrants the absence in the test volume of water as an indicator lactose positive (E.coli, TCB, TTCB) and pathogens (salmonella) and potentially pathogenic bacteria which do not ferment lactose. Proposed index of GPCB is shown to allow to assess epidemiological risks not only more accurate, but also more efficiently without increasing the cost performance of bacteriological research.

Increasing evidence suggests that oxidative stress and induction of mitochondrial permeability transition in cardiomyocytes are linked to tissue damage and the development of diabetic cardiovascular complications. The aim of this study was to assess the effects of quercetin (Q) on oxidative stress and mitochondrial permeability transition in the heart of rats with type 2 diabetes mellitus (DM). Type 2 DM was induced in 12-week-old male Wistar rats by intraperitoneal injections of 25 mg/kg streptozotocin twice per week followed by a high-fat diet during four weeks. The rats were divided into three groups: control intact group (C, n = 8), untreated diabetic group (Diabetes, n = 8) and diabetic rats treated with Q (50 mg/kg/day per os for 8 weeks) after diabetes induction (Diabetes+Q, n = 8). Administration of Q increased insulin sensitivity and normali­zed the functional state of cardiac mitochondria due to increased aconitase and succinate dehydrogenase activities in rats with type 2 DM. Q also ameliorated oxidative stress, decreasing the level of advanced oxidation protein products and increasing the activity of thioredoxin-reductase in heart mitochondria of diabetic rats. In addition, Ca2+-induced opening of the mitochondrial permeability transition pore was significantly inhibited in diabetic rats treated with Q in comparison with the untreated diabetic group. These data demonstrate that Q can protect against oxidative stress, mitochondrial permeability transition induction and mitochondrial dysfunction in cardiomyocytes of diabetic rats. We suggest that the use of Q may contribute to the amelioration of cardiovascular risk in type 2 DM.

Purpose When using a serial laser system for selective impact on the retinal pigment epithelium (RPE), there is a challenge to determine the optimal range of micropulse parameters which result in targeted damage to the RPE. This study proposes a computer model that has identified the optimal parameters to be applied. Methods This study was conducted on 18 patients who were diagnosed with acute central serous chorioretinopathy and transparent optical media, aged 35 to 46 years old, and type 2 and 3 on the Fitzpatrick scale. Testing of the micropulse mode was performed on the Navilas 577s laser system; 864 spots were analyzed in total. Considering the probability of damage visualization at different laser power, the computer simulation of tissue heating and protein denaturation was performed to determine the micropulse modes which resulted in selective damage to the RPE. Results The computer model parameter ΔE = 3.34 × 105 J/mol was determined from fitting the model predictions to the autofluorescence test results. The micropulse modes with a micropulse duration of 50-100 µs, duty cycle 2.4-4.8%, 10 ms-pulse envelope (5 micropulses), and spot diameter of 100 µm have efficiency and selectivity above 67% and correspond to the optimal therapeutic window for targeted RPE damage at a certain power. Increasing the micropulse duration, number of micropulses, and duty cycle leads to a decrease in the selective effect on the RPE and higher damage to adjacent tissues. Conclusion The concepts of efficiency and selectivity have been introduced to quantify the amount of damage caused. The optimal range of micropulse parameters which result in effective and selective damage on the RPE has been determined for the Navilas 577s laser system. The proposed method can be used for any other serial laser system. A comparison of the different micropulse modes, as well as the CW modes, has been performed.

In our previous study, we found that high doses of several substances with antioxidant capacities (Tempol, resveratrol, diphenyleneiodonium) can cause genotoxic stress and induce premature senescence in the human mesenchymal stem cells (MSCs). Here, using whole-transcriptome analysis, we revealed the signs of endoplasmic reticulum stress and unfolded protein response (UPR) in MSCs stressed with Tempol and resveratrol. In addition, we found the upregulation of genes, coding the UPR downstream target APC/C, and E3 ubiquitin ligase that regulate the stability of cell cycle proteins. We performed the molecular analysis, which further confirmed the untimely degradation of APC/C targets (cyclin A, geminin, and Emi1) in MSCs treated with antioxidants. Human fibroblasts responded to antioxidant applications similarly. We conclude that endoplasmic reticulum stress and impaired DNA synthesis regulation can be considered as potential triggers of cell damage and premature senescence stimulated by high-dose antioxidant treatments.

The synthesis of inhibitors for oxidative stress-associated destructive processes based on 2H-imidazole-derived phenolic compounds affording the bifunctional 2H-imidazole-derived phenolic compounds in good-to-excellent yields was reported. In particular, a series of bifunctional organic molecules of the 5-aryl-2H-imidazole family of various architectures bearing both electron-donating and electron-withdrawing substituents in the aryl fragment along with the different arrangements of the hydroxy groups in the polyphenol moiety, namely derivatives of phloroglucinol, pyrogallol, hydroxyquinol, including previously unknown water-soluble molecules, were studied. The structural and antioxidant properties of these bifunctional 5-aryl-2H-imidazoles were comprehensively studied. The redox transformations of the synthesized compounds were carried out. The integrated approach based on single and mixed mechanisms of antioxidant action, namely the AOC, ARC, Folin, and DPPH assays, were applied to estimate antioxidant activities. The relationship “structure-antioxidant properties” was established for each of the antioxidant action mechanisms. The conjugation effect was shown to result in a decrease in the mobility of the hydrogen atom, thus complicating the process of electron transfer in nearly all cases. On the contrary, the conjugation in imidazolyl substituted phloroglucinols was found to enhance their activity through the hydrogen transfer mechanism. Imidazole-derived polyphenolic compounds bearing the most electron-withdrawing functionality, namely the nitro group, were established to possess the higher values for both antioxidant and antiradical capacities. It was demonstrated that in the case of phloroglucinol derivatives, the conjugation effect resulted in a significant increase in the antiradical capacity (ARC) for a whole family of the considered 2H-imidazole-derived phenolic compounds in comparison with the corresponding unsubstituted phenols. Particularly, conjugation of the polyphenolic subunit with 2,2-dimethyl-5-(4-nitrophenyl)-2H-imidazol-4-yl fragment was shown to increase ARC from 2.26 to 5.16 (104 mol-eq/L). This means that the considered family of compounds is capable of exhibiting an antioxidant activity via transferring a hydrogen atom, exceeding the activity of known natural polyphenolic compounds.

This article presents the results of a study of electrochemical transformations in aqueous and aprotic media of 5-methyl-6-nitro-7-oxo-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidinide l-arginine monohydrate (1a, Triazid) obtained by electrochemical methods and ESR spectroscopy. The effect of pH on the current and the reduction potential of 1a in an aqueous Britton–Robinson buffer solution was studied. It was found that 1a is irreversibly reduced in aqueous acidic media on a glassy carbon electrode in one stage with the participation of six electrons and the formation of 5-methyl-6-amino-7-oxo-1,2,4-triazolo[1,5-a]pyrimidin. The electroreduction of 1a in DMF on a background of tetrabutylammonium salts proceeds in two stages, controlled by the kinetics of second-order reactions. In the first stage, the reduction of 1a is accompanied by protonation by the initial compound of the basic intermediate products formed in the electrode reaction (self-protonation mechanism). The second quasi-reversible stage of the electroreduction 1a corresponds to the formation of a dianion radical upon the reduction of the heterocyclic anion 5-methyl-6-nitro-7-oxo-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidin, which is formed upon the potentials of the first peak. The ESR spectrum of the radical dianion was recorded upon electroreduction of Triazid in the presence of Bu4NOH. The effect of the formation of ion pairs on the reversibility of the second peak of the 1a transformation is shown. A change in the rate and regioselectivity of the protonation of the dianion radical in the presence of Na+ and Li+ ions is assumed. The results of studying the electroreduction of 1a by ESR spectroscopy with a TEMPO trap make it possible to assume the simultaneous formation of both a nitroxyl radical and a radical with the spin density localized on the nitrogen at the 4 position of the six-membered ring. © 2021 by the authors. Licensee MDPI, Basel, Switzerland. Funding: This work was supported by the Russian Foundation for Basic Research (RFBR, project No. 19-29-08015 mk).

Even three decades after signing the Chemical Weapons Convention, organophosphorus chemical warfare agents (CWAs), such as sarin, remain a threat. The development of novel methods for the detection of CWAs, protection from CWAs, and CWA decontamination motivates research on their physicochemical properties. Due to the extreme toxicity of sarin, most of the experimental studies are carried out using less toxic simulant compounds. In addition to experimental studies of sarin simulants, both sarin and simulants can be studied using in silico experiments-molecular simulations. The results of classical molecular modeling of the compounds and their agreement with experimental data rely on the force field used to describe the system. In recent years, there have been several force fields proposed for sarin and its most common simulant dimethyl methylphosphonate (DMMP). However, other simulants frequently used in experiments received less attention from the molecular simulation perspective, for example, to date, there is no force field and no simulation data for diisopropyl methylphosphonate (DIMP). Here, we compare the literature force fields for sarin and DMMP, focusing specifically on the vapor-liquid equilibrium for the pure species. We carried out Monte Carlo and molecular dynamics simulations using the existing literature force fields from which we predicted the liquid densities and vapor pressures developing the entire binodal curves. We compared the predictions to the experimental data and showed that the TraPPE-UA force field outperformed the other force fields. Thus, we extended TraPPE-UA for DIMP, utilized this force field in molecular simulations, and predicted the liquid densities and vapor pressures for a range of temperatures (binodal curve), which agreed well with the published experimental data. From the binodal, we calculated the critical properties of DIMP and demonstrated that these parameters can be used in the Peng-Robinson equation of state for this compound.

Objective : to assess quality-of-life (QoL) dynamics in patients with rheumatoid arthritis (RA) when initiating therapy with biological agents (BAs) in real clinical practice. Patients and methods . The investigation enrolled patients with RA from the patient cohort participating in the TERMINAL-II multicenter Russian study, who newly initiated BA therapy. In the self-assessment terminal, the patient completed HAQ, EQ-5D, and RAPID-3 questionnaires. DAS28, SDAI, CDAI, and RAPID-3 were used to determine disease activity. The patient's functional status and QoL were assessed using the HAQ index and the EQ-5D questionnaire, respectively. The efficiency of the therapy was analyzed 6 months after the start of the study according to the standard procedures. Results and discussion . The investigation enrolled 156 RA patients: 79.6% females; mean age, 45.8±13.2 years; disease duration, 7.6±5.6 years. The patients had high RA activity (a mean DAS28 of 5.2±1.2, a mean SDAI of 39.5±16.4, a mean CDAI of 27.5±10.4, and a mean RAPID-3 of 15.1±3.6) and previous inefficacy of synthetic disease-modifying antirheumatic drugs (DMARDs) after at least 6 months of therapy. Only 1.2% of patients had a good functional status comparable to the population-based control (HAQ 40.5). 70% of patients needed to take non-steroidal anti-inflammatory drugs (NSAIDs). The first BA was chosen in accordance with the recommendations for administration of BAs and in terms of their availability in a specific region of the Russian Federation. The first prescribed BA was tumor necrosis factor-a (TNF-a) inhibitors in 112 (71.8%)patients, anti-B-cell therapy in 14 (9.0%), an interleukin-6 receptor inhibitor in 16 (10.3%), and a leukocyte costimulatory inhibitor in 14 (9.0%). Comparison of the patients receiving newly initiated therapy with TNF-a inhibitors and drugs with other mechanisms of action showed that the patients who had abatacept received higher doses of methotrexate (MTX), but lower doses of glucocorticoids (GCs) than those who were prescribed rituximab and tocilizumab. A statistically significant decrease in DAS28, SDAI, CDAI, and RAPID-3 scores was achieved after 6 months of therapy. Improvements of functional status and QoL in patients were also noted (p

The aim of the work was quantum chemical modeling by the theory of the functional density functional of the interaction of 2-methyl-5,7-dinitrobenzo[d]oxazole with tetrahydride borate ion. For this, geometric optimization and calculation of the total energies of the 2-methyl-5,7-dinitrobenzo[d]oxazole molecule in the gas phase and water were carried out using the DFT/B3LYP/aug-cc-pVDZ method. To determine the likely reaction centers for a nucleophile attack, atomic charges according to Mulliken and NBO charges in the molecule of the initial substrate were established. The largest positive charges according to Mulliken in the studied molecule, both in the gas phase and in water, are concentrated on the carbon atoms C4 and C6, whereas in the case of NBO analysis, such is the carbon atom C2. Analysis of nucleophilic atomic frontal electron densities on the atoms of the substrate showed that from the point of view of orbital control, the attachment of a nucleophile is most likely to the carbon atom in the 4 position. The data obtained are consistent with previous experimental studies in which a rigid base – methoxide ion is attached to a carbon atom C2, which is a rigid acid reaction center, and a reaction with a soft base – tetrahydride borate ion proceeds along softer acid centers – carbon atoms C4 and C6 of the benzene ring. The calculation of the total energies of the proposed -adducts allowed us to establish that the most thermodynamically stable structure when one hydride ion is attached to the 2-methyl-5,7-dinitrobenzo[d]oxazole molecule is the product of nucleophile addition to the C4 carbon atom, and in the case of two hydride ions – at positions 4 and 6 of the annelated benzene ring activated by nitro groups. Thus, the calculation of the Mulliken charges, as well as the values of the nucleophilic atomic frontal electron densities at the atoms of the substrate, best reflects the course of the reaction under conditions of orbital control with a tetrahydroborate ion, and NBO charges are better suited to describe the course of the reaction under conditions of charge control.

Objective. To study up a possibility of reduction of unfavorable effects of reperfusion on distant organs and systems in an acute ischemia of the extremity. Materials and methods. In the investigation, conducted in the Zaytsev Institute of General and Urgent Surgery 37 patients were included, operated in 2016 - 2019 yrs for severe acute ischemia due to an acute proximal occlusion of the lower extremity artery. In the Group I (comparative) 23 patients the standard treatment was conducted. In 14 patients of the Group II (the main) during the blood flow restoration, the proposed procedure of modified governed reperfusion in combination with a low-flow hemodialysis was applied in the first 12 h of reperfusion period. Dynamics of concentration of interleukins (IL-1β, IL-6, IL-8, IL-10) and the tumor necrosis factor alpha (TNF-α) during 48 h after the operation in peripheral venous blood was registered. As well in early postoperative period the levels of myoglobin, general creatinphosphokinase, creatinine and potassium were estimated as well. Results. Raising of concentration of anti-inflammatory cytokines in the blood serum, peculiarly of IL-6 and IL-8, was registered. Application of the method proposed for the governed reperfusion have permitted during first two days to lower concentration of IL-6 by 51 - 67%, and concentration of IL-8 - by the third part. While application of the method proposed the essential lowering of maximal and the average indices of levels of myoglobin and general creatinphosphokinase in the peripheral blood serum was noted as well. Reduction of the renal dysfunction severity and quantity of unfavorable cardio-pulmonary events was noted clinically. Conclusion. Application of the elaborated method of the governed reperfusion leads to reduction of inflammatory answer and systemic impact of products of ischemic metabolism and rhabdomyolysis in early postoperative period in patients, suffering severe ischemia of lower extremities.

Evaluation of epidemiologic risk factor in relation to lung cancer invoked by polycyclic aromatic hydrocarbons has been inconsistent. To address this issue, we conducted a prospective evaluation of new biomarkers for lung cancer classified according levels of idiotypic and anti-idiotypic antibodies against polycyclic aromatic hydrocarbons in human blood serum. The blood serums of 557 lung cancer patients and 227 healthy donors were analysis of these antibodies by ELISA. Collected data were regrouped and analyzed by gender, smoking, and age as predictors of risk lung cancer factors. Also, the data of lung cancer patients were additionally analyzed by stages and types of lung cancer, surgery, and chemotherapy. It was suggested to use ratio of idiotypic and anti-idiotypic antibodies rather than distinguish level each of them separately. The ratio of levels in healthy people was 3.32 times higher than in lung cancer patients. This approach gave more precisely results and great prognostic value. The logistic regression model (AUC = 0.9) and neural networks (AUC = 0.95) were built to compare lung cancer patients and healthy donors by predictors. The ELISA data of 49 people random sampled from the originally ELISA data and ELISA data of 52 coal miners as a group of lung cancer risk were confirmed logistic regression model. So, suggested idiotypic and anti-idiotypic antibodies against polycyclic aromatic hydrocarbons were not only shown difference between healthy donors and lung cancer patients also elicited group of lung cancer risk among healthy people.

The traps of charge carriers in thermal films of silicon dioxide and silicon dioxide with a nanocomposite layer consisting of silicon oxide and silicon nanocrystallites have been studied using the methods of Kelvin-probe microscopy and cathode-luminescence. Based on experimental studies, the presence of electrons and holes in the trap samples is established. The effect of the charge state of electron traps on the luminescent properties of films is demonstrated. It is shown that the number of traps in nanocomposite layers is greater than in thermal oxides, but their activation energies are close in their values. This suggests that the nature of the traps in such layers is the same.

Previous data showed that myelin-reactive autoantibodies found in patients with multiple sclerosis and mice with experimental autoimmune encephalomyelitis recognize and hydrolyze various fragments of myelin basic protein (MBP). Moreover, antibody-mediated cleavage of the encephalithogenic fragment MBP81-103 flanked with two fluorescent proteins can serve as a new biomarker of multiple sclerosis. Here we describe creation of the next generation of this biomarker based on antibody-dependent degradation of a new chemically synthesized fluorescent substrate with resonance energy transfer that contains fluorophore Cy5 and quencher QXL680 separated by MBP81-99 protein (Cy5-MBP81-99-QXL680). This substrate is degraded during incubation with purified antibodies and B cells from patients with multiple sclerosis, but not healthy volunteers.

Purpose — to study the morphological changes of the retinal pigment epithelium (RPE) by optical coherence tomography-angiography (OCT-A) in En Face mode before and after selective micropulse laser irradiation in patients with central serous chorioretinopathy (CSC), determine the correspondence between the topographic location of RPE defects and detachment on the OCT-angiogram in En Face mode and points of leakage on the FAG.Patients and methods. There were 20 patients (21 eyes) with CSC before and after laser treatment under the observation. All patients underwent high-resolution FAG and OCT-A using Angio Retina 2×2 or 3×3 mm protocol and Angio Retina HD 6×6 mm. The treatment was carried out in a selective micropulse mode with individual selection of parameters using the Navilas 577s navigation laser system (OD-OS, Germany) or the IQ 577 laser system (IRIDEX, USA).Results were evaluated at 2 weeks and 1 month after treatment. Results. In all cases, the leaking points of the subretinal fluid on FAG corresponded to the topographic location of defects and detachments of RPE detachment on OKT-A En Face. According to OCT-A En Face, the following morphological changes were revealed: in 5 cases — single defects of RPE, in 7 cases — multiple defects of RPE, in 9 cases of slit-like detachment of RPE, in 3 patients a combination of slit-like detachment and defect RPE. The sizes of RPE defects varied in the range from 21 to 159 microns, while their rounded shape prevailed. 1 month after the selective micropulse laser effect on OCT-A in the En Face mode, the defects were closed and the RPE detachments fit in all patients, which resulted in resorption of the subretinal fluid and the neurosensory retina attachment.Findings. OCT-A in En Face mode is a highly informative diagnostic method that allows noninvasive detection of morphological changes in RPE with a clear topographic localization relative to the retinal vascular network, as well as evaluating the effectiveness of selective micropulse laser treatment in patients with CSC.

In this paper, we studied the effect of anionic adducts of 5,7-dinitrobenz[d]oxazole on the sowing properties of wheat seeds (germination energy and germination), the growth rate of wheat shoots, amylase activity in the roots and shoots of wheat. The evaluation of the toxicity of the tested compounds was carried out using the GUSAR on-line computer program. A prediction was made of bioaccumulation factor (BCF), the average lethal concentration for daphnia and minnow (LD50), the concentration of half-maximal growth inhibition (IGC50) and the acute toxicity indicators (LD50) for rats with different routes of administration. For the study were selected: 2-methoxy-5,7-dinitro-2 (piperidin-1-yl)-2,3-dihydrobenzo[d]oxazole, 2-methoxy-5,7-dinitro-1,2-dihydrobenzo[d]sodium oxazolide, 2-methyl-2-methoxy-5,7-dinitro-1,2-dihydro-benzo[d]cesium oxazolide, 2-phenyl-2-methoxy-5,7-dinitro-1,2-dihydrobenzo[d]sodium oxazolide and 2-methyl-2-ethoxy-5,7-dinitro-1,2-dihydrobenzo[d]oxazolid cesium. Biological activity was analyzed on wheat seeds of the winter variety Moskovskaya 39. Aqueous solutions of the studied substances were used with concentrations: 1·10-4 mol/l, 1·10-6 mol / l, 1·10-8 mol/l, 1·10-10 mol/l, 1·10-12 mol/l and 1·10-14 mol/l. The germination energy of wheat seeds was determined on day 3, and germination on the 9th day after sowing by counting germinated seeds. Values are expressed as a percentage of the total number of seeds sown. Biometric indicators (height of shoots) were determined on the 9th day after sowing. Amylase activity was measured in the roots and shoots of wheat plants by the amount of undecomposed starch using spectrophotometry. The data obtained allow us to conclude that different substituents in the anionic adducts of 5,7-dinitrobenz[d]oxazole in varying degrees contribute to the manifestation of biological activity at different stages of wheat plant growth. During the first three days, 2-methyl-2-ethoxy-5,7-dinitro-1,2-dihydrobenzo [d]oxazolid cesium affects the growth processes in wheat seeds most actively. The growth of wheat shoots is stimulated to a greater extent by solutions of 2-methoxy-5,7-dinitro-1,2-dihydrobenzo[d]oxazolid sodium with concentrations of 1·10–4 and 1·10–6 mol/l and solution 2-phenyl-2-methoxy-5,7-dinitro-1,2-dihydroben-zo[d]oxazolid sodium with a concentration of 1·10-8 mol/l. Amylase activity in wheat roots is increased by solutions of 2-methyl-2-methoxy-5,7-dinitro-1,2-dihydrobenzo[d]cesium oxazolid in the whole range of concentrations used, and in the shoots – solutions of 2-methoxy-5,7-dinitro-1,2-dihydrobenzo[d]oxazolid sodium in the range of all tested concentrations. In general, anionic adducts of 5,7-dinitrobenz[d]oxazole exhibit high biological activity in relation to wheat plants in the early stages of development.

The analysis of the unified series of single-phase Zn2 – 2xMn2xSiO4 samples (x ≤ 0.2) has provided the possibility to determine the optimal dopant concentration x = 0.13 for the maximum luminescence intensity. It has been established that the dominating mechanism of concentration luminescence quenching and excitation energy dissipation is the oxidation of some Mn2+ activating ions and the growth of defectness in the luminophore due to this process Phosphors.

It is well known that upon electronic excitation various π-stacked dimers readily exhibit excimer formation, facilitated by a perfect sandwich-like arrangement between the chromophores. However, it is unclear whether such a dimer is also capable of electron transfer upon excitation, if a strong electron-donating group is covalently attached. In this work, we probe the nature of the excited state in a series of cofacially arrayed polyfluorene derivatives with electron-rich aromatic donor attached via a methylene linker. Our studies show that in all cases excimer formation is energetically favorable, and promotion of a charge-transfer state in such systems is possible but requires a free energy for electron transfer far exceeding 1 V. These findings shed light on important design principles for molecular scaffolds capable of stabilizing both excimeric and charge-transfer states upon their excitation.

The structure of the testicles was studied in adult rats in 120 days after a single intravenous injection of chitosan-modified (magnetic nanospheres) and lipid-modified (magnetoliposomes) nanosized magnetite particles. Perls histochemical reaction detected in the testicular interstitial connective tissue the cells which absorbed and accumulated magnetite nanoparticles. The dynamics of spermatogenesis index and the count of Perls+ cells in the rat testicles were traced throughout the experiment. The studied modified nanosized magnetite particles did not penetrate through the blood-testicle barrier in rats.

We have studied the effect of the water-soluble form of ubiquinol-10 (CoQ10-H2) on the processes of electron transport, oxidative phosphorylation, and the formation of reactive oxygen species in mitochondria isolated from the hearts of Wistar rats. It has been shown that preincubation of isolated mitochondria with different concentrations of ubiquinol-10 has only a minor effect on the rate of oxygen uptake and respiratory control. The interaction of ubiquinol-10 with superoxide radicals formed in complex III (bc1 segment) of cardiac mitochondria has been studied using the EPR spin trapping and EPR oximetry method. Ubiquinol-10 has been found to act as an efficient antioxidant within the physiological range of the lipid concentrations, while the magnitude and kinetic characteristics of the antiradical effect depend on the drug concentration.

Two chromophores with π-deficient quinoxaline (Q) core in the π-electron bridge together with dibutylaniline (DBA) donor moiety and tricyanofuranyl (TCF) or dicyanovinyl (DCV) acceptor moieties have been synthesized to investigate their macroscopic nonlinear optical (NLO) activity in guest-host materials. A distinctive feature of the 7-DBA-VQPhV-TCF chromophore is predominance of negative solvatochromism over the positive one, which is quite rarely met for the chromophores manifesting inverse solvatochromic behavior as well as the blue shift of the absorption maximum compared to the chromophore FTC with divinylthiophene π-bridge. Introduction of quinoxaline moiety in the conjugated bridge promotes the increase of thermal stability: Td of both compounds is higher than 225 °C. Density functional theory was used to calculate the chromophores first hyperpolarizability (β). Quadratic NLO response characterized by d33 coefficient was measured by SHG technique for thin guest-host polymer films. The influence of chromophore content on the NLO coefficient of 7-DBA-VQPhV-TCF/PMMA film has been investigated and the d33 value of this film reaches 108 pm/V at 25 wt% load. The poled film 7-DBA-VQPh-DCV/PMMA shows twice smaller d33 values (30 pm/V) at the same chromophore load (20 wt%).

The Purpose— to develop the technology and to evaluate the clinical results of personalized laser treatment of patients with chronic central serous chorioretinopathy (CSC) in a micropulse mode with individual selection of energy parameters on the navigation system Navilas 577s.Patients and Methods. 19 patients (22 eyes) with CSC after micropulse laser treatment were analyzed. The initial best corrected visual acuity (BCVA) was 0.4 to 1.0. According to OCT, the height of the detachment of the neurosensory retina varied from 83 to 259 microns. Retinal sensitivity of the central zone was from 20.2 to 29.7 dB. Before laser treatment were individually selected the optimal energy parameters for each patient. The treatment was performed on a Navilas 577s laser system. The follow-up were 1 and 3 months.Results. 1 month after treatment the positive dynamics of functional and anatomical results in all patients was observed. Mean BCVA increased in the group to 0.81 ± 0.04. The central retinal sensitivity raised on average in the group up to 25.7 ± 0.6 dB. After 3 months, mean BCVA was 0.96 ± 0.02. Mean central retinal sensitivity increased to 26.4 ± 0.57 dB. The study revealed a high correlation between visual acuity and the central retinal thickness (0.72) and medium correlation between foveal retinal sensitivity and central retinal thickness in fovea (0.60), respectively. The correlation among visual acuity, retinal sensitivity and the symptom’s duration of the disease is negative medium (-0.63) and significant (-0.72), respectively.Conclusions. The developed personalized technology of laser treatment of chronic central serous chorioretinopathy with a micropulse mode with an individual selection of energy parameters on the Navilas 577s navigation system showed high clinical efficiency and safety. It has been established that in the course of the longstanding duration of the disease irreversible changes in the chorioretinal complex structure occured, thinning of the foveal photoreceptors layer leading to a decrease in the central retinal sensitivity and visual acuity, which substantiate the necessity for early and maximally functional-saving treatment.

Health and life expectancy of a person are largely related to the quality of food. Insufficient amount of biologically active substances (BAS) in the diet can lead to the development of alimentary diseases such as diabetes, cancer, diseases of the cardiovascular system. They are based on oxidative stress causing the development of inflammation. Natural antioxidants of plant origin – polyphenols and carotenoids reduce the risk of these diseases. To create blended juices of functional orientation, fruit and vegetable raw materials containing high concentrations of these compounds is suggested to use. Mountain ash and small-fruited Siberian apples are rich in flavonoids and hydroxycinnamic acids, pumpkin – carotenoids. Honey enriches the taste of the drink. Based on these components, recipes of blended fruit and vegetable juices with honey were created. Methods of research of organoleptic, physico-chemical and microbiological parameters, approved by normative and technical documentation, were used in the work. Four compositions that differ in the ratio of the ingredients were considered. According to the results of the organoleptic evaluation, the juice formulation was chosen, including 450 ml of juice of small-fruited apples, 400 ml of pumpkin juice, 100 ml of mountain ash syrup, 25 ml of honey and 25 ml of water on 1 liter juice. The main physicochemical indicators of the juice are determined: the mass fraction of soluble solids was 16.0%, the mass fraction of pulp was 4.5%, the mass fraction of sugar was 36.3%, the mass fraction of titrated acids in terms of malic acid was 0.45 %, pH was 3.7. Studies of microbiological safety were carried out. The check sample of juice corresponds to the industrial sterility indicators and regulatory and technical documentation.

A number of new derivatives of N-(3-R-1,5-dinitro-8-oxo-3-azabicyclo[3.3.1]non-6-en-7-yl)acetamides have been synthesized by Mannich condensation of hydride σ-adduct of the N-(2-hydroxy-3,5-dinitrophenyl)acetamide with formaldehyde and primary amines. The synthesis was carried out with two stages. In the first stage, under the action of sodium tetrahydride borate on a solution of N-(2-hydroxy-3,5-dinitrophenyl)acetamide, the C = C bonds of the aromatic ring were reduced to form a 3-charge hydride adduct. The resulting diaduct was isolated from the solution and, while cooling with ice, was introduced into Mannich-condensation with formaldehyde and a solution of the primary amine or amino acid. When the reaction mixture was acidified with dilute orthophosphoric acid to pH 4–5, precipitates of the target products precipitated. After recrystallization from ethanol, the yield of the target products, depending on the substituent at the nitrogen atom, ranged from 55 to 90%. This method is distinguished by relative simplicity, availability of reagents and allows under mild conditions to transfer from the aromatic system activated by nitro groups to 3-azabicyclo[3.3.1]nonane derivatives, containing promising from the point of view of further functionalization nitro, carbonyl and amino groups. The structure of the compounds obtained was proved by IR, 1H-, 13C-, two-dimensional correlation NMR spectroscopy, as well as elemental analysis data. In the IR spectra of the obtained substances, the characteristic absorption bands of amide I (1629-1633 cm-1) and amide II (1560-1570 cm-1), as well as antisymmetric (1549-1556 cm-1) and symmetric (1370-1377 cm-1) oscillations of nitro groups were observed. In the NMR spectra in the weakest field, the broadened signal of the proton NH is observed (δ 9.51-9.57 ppm), followed by the singlet signal of the proton at the double bond (δ 8.15-8.16 ppm). The protons of the methylene groups of the bicyclic system are diastereotopic. Therefore, their signals are mutually split into broadened doublets located in the region of 2.66–3.46 ppm.

The selective chloromethylenation of functionalized esters using chloroacetic acid (CA) and LiHMDS (HMDS=hexamethyldisilazide) in a continuous-flow setup is reported. This Claisen homologation is for the first time extended to bis-chloromethylenation using dichloroacetic acid (DCA), thus giving access to under-explored alpha,alpha'-bis-chloroketones. The use of flow conditions enables efficient generation and reaction of the unstable chloroacetate dianion intermediates, leading to unprecedented mild and scalable reaction conditions at an economical reagent stoichiometry (-10 degrees C, \textless1 min, 1.0-2.4 equiv dianion). The clean reaction profiles allow subsequent use of the unpurified crude products, which is demonstrated in the synthesis of various heterocycles of broad interest. Furthermore, we report a novel, catalyst-free substitution of the obtained monochloro ketone products with (hetero)aryl zinc enolates to give valuable 1,4-diketones.