Structure of 5-nitro-2-tosylaminobenzaldehyde di(morpholin-4-yl)aminal Complex with Carbon Tetrachloride

The 5-nitro-2-tosylaminobenzaldehyde di(morpholin-4-yl)aminal forms a stable complex with carbon tetrachloride in the crystal phase. X-ray structural study of this complex indicates an essentially shortened intermolecular contact of 2.89 Å between the oxygen atom of the nitro group and one of the chlorine atom of the CCI4 molecule. Quantum-chemical calculations by semiempirical AMI method showed that the formation of such complex did not cause considerable decrease of system energy or change of charge distribution in molecules. It was supposed that this associate has van der Waals character

Experience of eradicating parasites of laboratory rats in conventional vivarium

The purpose of the research is to test different dehelminthization schemes of laboratory rats infected with cestodes Rodentolepis nana and nematodes Syphacia muris and evaluate the significance of combined environment disinfection measures. The practical experience of eradication (helminth eradication) in animals in a conventional vivarium was described.Materials and methods. Experiments were conducted to study the efficacy of anthelmintics and administration schemes against cestode and nematode infections in laboratory rats. In the first experiment, praziquantel was used at a dose of 10 mg/kg to treat rats infected with R. nana. In the second experiment, the comparative efficacy of fenbendazole, albendazole, and pyrantel was evaluated against syphaciosis at the recommended dosages of 20, 10, and 12.5 mg/kg, respectively. Each drug was given orally, individually, twice with an interval of 7 days. The third experiment tested different schemes for treating syphaciosis with fenbendazole. One group of rats was given the drug orally individually using an esophageal tube at a dose of 20 mg/kg once a day for 7 consecutive days. Other groups were given fenbendazole daily with food for 7 days (150 mg fenbendazole per 1 kg of food). In all three experiments, all animals were divided into groups, and their cells underwent a complex of additional disinfection measures, and those kept in cages without disinfection.Results and discussion. Praziquantel showed 100% efficacy at a single dose of 10 mg/kg in R. nana therapy. In animals without additional disinfection procedures, cestode eggs were again recorded starting from day 14 after the drug administration. In the group of animals with disinfection measures, pathogens were not detected during the experiment. Double administration of fenbendazole, albendazole and pyrantel in the recommended dosages against syphaciosis did not result in eradicated nematodes in the animals. The disinfection did not affect the obtained results. Fenbendazole administered daily for 7 days ensured helminth eradication in animals. However, on day 7 after the therapy, Syphacia sp. eggs were again found in the groups that received the drug individually intragastrically through a tube, regardless of whether their cells were disinfected. The animals that received fenbendazole with food and were regularly disinfested remained free from nematodes throughout the experiment until the additional disinfection measures were cancelled. In the absence of disinfection, released helminth eggs were recorded on day 14 after therapy

Microstructure and biodegradation performance of Mg–4Ca–1Zn based alloys after ultrasonic treatment and doping with nanodiamonds for biomedical applications

This work aims to study microstructural features, phase composition, topology, surface potential, and the biodegradation performance of Mg–4Zn–1Ca-based alloys whose melts were ultrasonically (US) treated and doped with nanodiamonds (ND). The findings show a correlation between the ratio of the secondary phase segregated along the grain boundaries and the biodegradation rate in the RPMI-1640 synthetic culture medium. The fewer Ca2Mg6Zn3 phase fraction, the lower the biodegradation rate. Also, ND doping does not significantly affect the biodegradation rate. Intriguingly, the latter in the US-treated alloy was found to be noticeably inhibited due to a smoother topography and the presence of the fewest Ca2Mg6Zn3 phase fraction segregated along the grain boundaries. Further studies are needed to assess the biodegradable potential of the ND doped alloy, which melt was ultrasonically treated

(6aS*,6bS*,11R*,11aR*)-6-(2-Furyl­methyl)-5,12-dioxo-5,6,6a,6b,7,11,11a,12-octa­hydro­furo[3′,2′:5,6]isoindolo[2,1-a]quinazoline-11-carb­oxy­lic acid

The title compound, C23H18N2O6, is the product of an intra­molecular thermal cyclo­addition within 1-malein-2-[(E)-2-(2-fur­yl)vin­yl]-4-oxo-3,4-dihydro­quinazoline. The mol­ecule comprises a previously unknown fused penta­cyclic system containing two five-membered rings (2-pyrrolidinone and furan) and three six-membered rings (benzene, 2,3-dihydro-4-pyrimidinone and dihydro­cyclo­hexa­ne). The central five-membered pyrrolidinone ring has the usual envelope conformation. The six-membered dihydro­pyrimidinone and dihydro­cyclo­hexane rings adopt a half-boat and a half-chair conformation, respectively. The dihedral angle between the planes of the terminal benzene and furan rings is 45.99 (7)°. In the crystal, O—H⋯O hydrogen bonds link the mol­ecules into centrosymmetric dimers. Weak C—H⋯O hydrogen bonds consolidate further the crystal packing, which exhibits π–π inter­actions, with a short distance of 3.556 (3) Å between the centroids of benzene rings of neighbouring mol­ecules

НИЗКОТЕМПЕРАТУРНАЯ ПЛАЗМА МАГНЕТРОННОГО РАЗРЯДА

The article investigates a low-temperature plasma of the magnetron discharge of a device used for the synthesis of dielectric films by reactive cathode sputtering. The aim of the study is to determine the temperature characteristics of plasma particles and a sputtered substance, as well as the mechanism for the formation of a chemical bond between sputtered atoms and active gas molecules. A study of the composition and energy parameters of the plasma, as well as the chemical composition of the particles obtained by sputtering, was carried out by a spectroscopic method. The quantitative composition was determined by a mass spectrometer to determine the composition of the sputtered particles.В статье исследуется низкотемпературная плазма магнетронного разряда устройства, используемого для синтеза диэлектрических пленок  реактивным катодным распылением [1]. Целью исследования является определение температурных характеристик частиц плазмы и распыленного вещества, а также механизма образования химической связи между распыленными атомами и молекулами активного газа. Исследование состава и энергетических параметров плазмы, а также химический состав полученных при распылении частиц вещества, проведен спектроскопическим методом. Количественный состав определялся масс-спектрометром для определения состава распыленных частиц

Опыт освобождения лабораторных крыс от возбудителей паразитарных болезней в виварии открытого типа содержания

The purpose of the research is to test different dehelminthization schemes of laboratory rats infected with cestodes Rodentolepis nana and nematodes Syphacia muris and evaluate the significance of combined environment disinfection measures. The practical experience of eradication (helminth eradication) in animals in a conventional vivarium was described.Materials and methods. Experiments were conducted to study the efficacy of anthelmintics and administration schemes against cestode and nematode infections in laboratory rats. In the first experiment, praziquantel was used at a dose of 10 mg/kg to treat rats infected with R. nana. In the second experiment, the comparative efficacy of fenbendazole, albendazole, and pyrantel was evaluated against syphaciosis at the recommended dosages of 20, 10, and 12.5 mg/kg, respectively. Each drug was given orally, individually, twice with an interval of 7 days. The third experiment tested different schemes for treating syphaciosis with fenbendazole. One group of rats was given the drug orally individually using an esophageal tube at a dose of 20 mg/kg once a day for 7 consecutive days. Other groups were given fenbendazole daily with food for 7 days (150 mg fenbendazole per 1 kg of food). In all three experiments, all animals were divided into groups, and their cells underwent a complex of additional disinfection measures, and those kept in cages without disinfection.Results and discussion. Praziquantel showed 100% efficacy at a single dose of 10 mg/kg in R. nana therapy. In animals without additional disinfection procedures, cestode eggs were again recorded starting from day 14 after the drug administration. In the group of animals with disinfection measures, pathogens were not detected during the experiment. Double administration of fenbendazole, albendazole and pyrantel in the recommended dosages against syphaciosis did not result in eradicated nematodes in the animals. The disinfection did not affect the obtained results. Fenbendazole administered daily for 7 days ensured helminth eradication in animals. However, on day 7 after the therapy, Syphacia sp. eggs were again found in the groups that received the drug individually intragastrically through a tube, regardless of whether their cells were disinfected. The animals that received fenbendazole with food and were regularly disinfested remained free from nematodes throughout the experiment until the additional disinfection measures were cancelled. In the absence of disinfection, released helminth eggs were recorded on day 14 after therapy.Цель исследований – испытать разные схемы дегельминтизации лабораторных крыс при заражении цестодами Rodentolepis nana и нематодами Syphacia muris и оценить значение мероприятий комплексной дезинвазии среды содержания. Описан практический опыт освобождения животных (эрадикация гельминтов) в виварии открытого типа содержания.Материалы и методы. Проведены опыты по изучению эффективности антигельминтиков и схем их применения при цестодозной и нематодозной инвазиях у лабораторных крыс. В первом опыте для лечения крыс, зараженных R. nana, использовали празиквантел в дозе 10 мг/кг. Во втором опыте оценивали сравнительную эффективность фенбендазола, албендазола и пирантела при сифациозе в рекомендованных дозировках 20, 10 и 12,5 мг/кг соответственно. Каждый препарат задавали перорально, индивидуально, дважды с интервалом 7 сут. В третьем опыте испытывали разные схемы лечения сифациоза фенбендазолом. Одним группам крыс препарат задавали перорально индивидуально через пищеводный зонд в дозе 20 мг/кг один раз в день 7 сут подряд. Другим группам фенбендазол задавали ежедневно с кормом в течение 7 сут (150 мг фенбендазола на 1 кг корма). Во всех трех опытах все животные были разделены на группы, в клетках которых проводили комплекс дополнительных дезинвазионных мероприятий, и содержавшихся в клетках без дезинвазии.Результаты и обсуждение. Празиквантел показал 100%-ную эффективность при однократной даче в дозе 10 мг/кг при терапии R. nana. У животных без дополнительных дезинвазионных процедур, начиная с 14-х суток после дачи препарата, были снова зарегистрированы яйца цестод. В группе животных с дезинвазионными мероприятиями на протяжении опыта возбудители выявлены не были. Двукратное применение фенбендазола, альбендазола и пирантела в рекомендуемых дозировках при сифациозе крыс не привело к освобождению животных от нематод. Дезинвазия не повлияла на полученные результаты. Фенбендазол при ежедневном применении в течение 7 сут обеспечил освобождение животных от гельминтов. Однако, на 7-е сутки после окончания терапии яйца сифаций снова обнаруживали в группах, получавших препарат индивидуально внутрижелудочно через зонд, независимо от того, проводилась ли в их клетках дезинвазия. Животные, получавшие фенбендазол с кормом и у которых проводили регулярно дезинвазию, оставались свободными от нематод на протяжении всего опыта вплоть до отмены дополнительных дезинвазионных мероприятий. При отсутствии дезинвазии выделение яиц гельминтов зарегистрировано на 14-е сутки после окончания терапии

Unsymmetrical Trifluoromethyl Methoxyphenyl β-Diketones: Effect of the Position of Methoxy Group and Coordination at Cu(II) on Biological Activity

Copper(II) complexes with 1,1,1-trifluoro-4-(4-methoxyphenyl)butan-2,4-dione (HL1) were synthesized and characterized by elemental analysis, FT-IR spectroscopy, and single crystal X-ray diffraction. The biological properties of HL1 and cis-[Cu(L1)2 (DMSO)] (3) were examined against Gram-positive and Gram-negative bacteria and opportunistic unicellular fungi. The cytotoxicity was estimated towards the HeLa and Vero cell lines. Complex 3 demonstrated antibacterial activity towards S. aureus comparable to that of streptomycin, lower antifungal activity than the ligand HL1 and moderate cytotoxicity. The bioactivity was compared with the activity of compounds of similar structures. The effect of changing the position of the methoxy group at the aromatic ring in the ligand moiety of the complexes on their antimicrobial and cytotoxic activity was explored. We propose that complex 3 has lower bioavailability and reduced bioactivity than expected due to strong intermolecular contacts. In addition, molecular docking studies provided theoretical information on the interactions of tested compounds with ribonucleotide reductase subunit R2, as well as the chaperones Hsp70 and Hsp90, which are important biomolecular targets for antitumor and antimicrobial drug search and design. The obtained results revealed that the complexes displayed enhanced affinity over organic ligands. Taken together, the copper(II) complexes with the trifluoromethyl methoxyphenyl-substituted β-diketones could be considered as promising anticancer agents with antibacterial properties. © 2021, MDPI. All rights reserved.This work was funded by RFBR and Sverdlovsk region (project numbers 20-43-660042 and 20-53-00006) and supported by the basic theme of the Russian Academy of Sciences (state registration no. AAAA-A19-119011790132-7 and project no. AAAA-A19-119012490006-1). XRD experiments and analytical studies were carried out using the equipment of the Center for Joint Use “Spectroscopy and Analysis of Organic Compounds” at the Postovsky Institute of Organic Synthesis UB RAS. X-ray study was supported by the U.S. National Science Foundation (Grant DMR-1523611 PREM). The cytotoxicity assay was carried out at the “Simbioz” Center for the Collective Use of Research Equipment in the Field of Physical–Chemical Biology and Nanobiotechnology at IBPPM RAS. This work has been supported by the RUDN University Strategic Academic Leadership Program

Micromechanical Properties of Injection-Molded Starch–Wood Particle Composites

The micromechanical properties of injection molded starch–wood particle composites were investigated as a function of particle content and humidity conditions. The composite materials were characterized by scanning electron microscopy and X-ray diffraction methods. The microhardness of the composites was shown to increase notably with the concentration of the wood particles. In addition,creep behavior under the indenter and temperature dependence were evaluated in terms of the independent contribution of the starch matrix and the wood microparticles to the hardness value. The influence of drying time on the density and weight uptake of the injection-molded composites was highlighted. The results revealed the role of the mechanism of water evaporation, showing that the dependence of water uptake and temperature was greater for the starch–wood composites than for the pure starch sample. Experiments performed during the drying process at 70°C indicated that the wood in the starch composites did not prevent water loss from the samples.Peer reviewe

Cause of Death and Predictors of All-Cause Mortality in Anticoagulated Patients With Nonvalvular Atrial Fibrillation : Data From ROCKET AF

M. Kaste on työryhmän ROCKET AF Steering Comm jäsen.Background-Atrial fibrillation is associated with higher mortality. Identification of causes of death and contemporary risk factors for all-cause mortality may guide interventions. Methods and Results-In the Rivaroxaban Once Daily Oral Direct Factor Xa Inhibition Compared with Vitamin K Antagonism for Prevention of Stroke and Embolism Trial in Atrial Fibrillation (ROCKET AF) study, patients with nonvalvular atrial fibrillation were randomized to rivaroxaban or dose-adjusted warfarin. Cox proportional hazards regression with backward elimination identified factors at randomization that were independently associated with all-cause mortality in the 14 171 participants in the intention-to-treat population. The median age was 73 years, and the mean CHADS(2) score was 3.5. Over 1.9 years of median follow-up, 1214 (8.6%) patients died. Kaplan-Meier mortality rates were 4.2% at 1 year and 8.9% at 2 years. The majority of classified deaths (1081) were cardiovascular (72%), whereas only 6% were nonhemorrhagic stroke or systemic embolism. No significant difference in all-cause mortality was observed between the rivaroxaban and warfarin arms (P=0.15). Heart failure (hazard ratio 1.51, 95% CI 1.33-1.70, P= 75 years (hazard ratio 1.69, 95% CI 1.51-1.90, P Conclusions-In a large population of patients anticoagulated for nonvalvular atrial fibrillation, approximate to 7 in 10 deaths were cardiovascular, whereasPeer reviewe

Northern Eurasia Future Initiative (NEFI): facing the challenges and pathways of global change in the 21st century

During the past several decades, the Earth system has changed significantly, especially across Northern Eurasia. Changes in the socio-economic conditions of the larger countries in the region have also resulted in a variety of regional environmental changes that can have global consequences. The Northern Eurasia Future Initiative (NEFI) has been designed as an essential continuation of the Northern Eurasia Earth Science Partnership Initiative (NEESPI), which was launched in 2004. NEESPI sought to elucidate all aspects of ongoing environmental change, to inform societies and, thus, to better prepare societies for future developments. A key principle of NEFI is that these developments must now be secured through science-based strategies co-designed with regional decision makers to lead their societies to prosperity in the face of environmental and institutional challenges. NEESPI scientific research, data, and models have created a solid knowledge base to support the NEFI program. This paper presents the NEFI research vision consensus based on that knowledge. It provides the reader with samples of recent accomplishments in regional studies and formulates new NEFI science questions. To address these questions, nine research foci are identified and their selections are briefly justified. These foci include: warming of the Arctic; changing frequency, pattern, and intensity of extreme and inclement environmental conditions; retreat of the cryosphere; changes in terrestrial water cycles; changes in the biosphere; pressures on land-use; changes in infrastructure; societal actions in response to environmental change; and quantification of Northern Eurasia's role in the global Earth system. Powerful feedbacks between the Earth and human systems in Northern Eurasia (e.g., mega-fires, droughts, depletion of the cryosphere essential for water supply, retreat of sea ice) result from past and current human activities (e.g., large scale water withdrawals, land use and governance change) and potentially restrict or provide new opportunities for future human activities. Therefore, we propose that Integrated Assessment Models are needed as the final stage of global change assessment. The overarching goal of this NEFI modeling effort will enable evaluation of economic decisions in response to changing environmental conditions and justification of mitigation and adaptation efforts