bluuebunny/crossref_metadata_2025 huggingface dataset:
анализ решения вопросов INDOOR-НАВИГАЦИИ
Authors: Колышкина Н.С. , Борсук Н.А.
Published: May 2021

Актуальность работы обусловлена тем, что на сегодняшний день образование является одной из наиболее динамически развивающихся направлений многокритерного анализа, рынок образовательных услуг на протяжении многих лет занимает лидирующее положение по темпам роста. Однако недостаточное внимание уделяется организации пространства вузов, в том числе разработке системы навигации в крупных университетах. Наличие такой системы позволит сократить время адаптации первокурсников и абитуриентов в ВУЗе, сделает более понятным передвижение по корпусам различных групп потребителей образовательных услуг: приглашенных лекторов, участников олимпиад, студентов.

The relevance of the work is due to the fact that today education is one of the most dynamically developing areas of multi-criteria analysis, the market of educational services for many years occupies a leading position in terms of growth rates. However, insufficient attention is paid to the organization of the space of universities, including the development of a navigation system in large universities. The presence of such a system will reduce the time of adaptation of first-year students and applicants at the university, will make it more understandable to move around the buildings of various groups of consumers of educational services: invited lecturers, participants of Olympiads, students.
МАТЕМАТИЧЕСКАЯ МОДЕЛЬ УПРАВЛЕНИЯ РАБОТОЙ САЙТОВ
Authors: Andreeva E.A. , Suvorov V.I. , Lobanov A.V.
Published: May 2021

Актуальность данного исследования, приведенного в статье, обусловлена возникающими техническими и экономическими проблемами, в частности с оптимальным определением размеров инфраструктуры с точки зрения информационных технологий для сайта, который сможет обеспечить должное качество обслуживания клиентских запросов. Делать прогнозы в работе данных сайтов при многократном увеличении нагрузки на них. В статье рассматривается задача оптимального управления, которая формализует управление клиентской базы сайтов с помощью пропускной способности каналов связи и с помощью увеличения скорости работы самого сайта за счет повышения его привлекательности. Сформулированы необходимые условия оптимальности поставленной задачи. Исследуется устойчивость найденных положений равновесия. Найдены условия асимптотической устойчивости. Приведены результаты численных экспериментов для работы двух сайтов и сделан анализ полученного решения. Данная статья представляет практическую ценность для разработчиков, администраторов и аналитиков веб сайтов.

The relevance of the study, given in the article, is conditioned by the arising technical and economic problems, particularly with the optimal infrastructure size determination from the information technology point of view for a site, which will be able to provide the proper quality of clients’ requests service. The paper makes predictions in these sites operation in the case of their multiple load increase. The article considers the task of optimal control, which formalizes the client sites database management with the help of information throughput and speed increase of the site itself. The necessary conditions for the task optimality are formulated. Stability of found equilibrium positions is studied. Asymptotic stability conditions are found. Results of numerical experiments for operation of two sites and analysis of the obtained solution are given. This article is of practical value to website developers, administrators and analysts.
РАЗРАБОТКА ВИРТУАЛЬНЫХ АНАЛИЗАТОРОВ КАЧЕСТВА СИСТЕМЫ УСОВЕРШЕНСТВОВАННОГО УПРАВЛЕНИЯ ТЕХНОЛОГИЧЕСКИМ ПРОЦЕССОМ РЕАКТОРНОГО БЛОКА УСТАНОВКИ ПЕНТАН ГЕКСАНОВОЙ ИЗМЕРИЗАЦИИ
Authors: Никитин Д.А. , Цыбин Д.Е. , Хафизов А.М. , Юсупова И.Г. , Сафин Э.М.
Published: May 2021

В данной статье рассматривается разработка виртуальных анализаторов качества для системы усовершенствованного управления технологическим процессом реакторного блока установки пентан гексановой изомеризации. Для этого были произведены вспомогательные вычисления, построены математические модели и реализация виртуальных анализаторов качества в программном продукте, представлены рисунки аппроксимации показаний с датчиков, наиболее влияющих на качество продукта. Продемонстрированы характеристики разработанных виртуальных анализаторов качества, результаты предварительного построения виртуальных анализаторов в программном обеспечении Honeywell. Приведено пошаговое тестирование, построение и отладка динамических моделей, конфигурация базового регулирования. Цель работы заключалась в анализе выгрузки данных с приборов исследуемого блока и на основе анализа данных построение регрессионных уравнений, необходимых для построения виртуальных анализаторов качества. В результате исследования были разработаны виртуальные анализаторы качества, предоставлены рисунки наложения данных модели на исторические данные приборов.

This article discusses the development of virtual quality analyzers for the advanced process control system of the reactor unit of the pentane hexane isomerization unit. For this purpose, auxiliary calculations were made, mathematical models were built, and virtual quality analyzers were implemented in the software product. The characteristics of the developed virtual quality analyzers and the results of preliminary construction of virtual analyzers in the Honeywell software are demonstrated. Step-by-step testing, construction and debugging of dynamic models, configuration of basic regulation are given.
Pannoniai fürdőkalauz – Római fürdőkultúra, gyógyfürdők Pannoniában. Beharangozó
Authors: Horváth Szilvia , Kiss Magdolna
Published: May 2021

Offered here is a brief preview of a book scheduled for publication in the near future. The book, guide to the Baths of Pannonia, is a joint publication by the rippl-rónai Museum of Kaposvár and genianet Publishing, scheduled to appear in 2019. the authors, Szilvia Horváth and Magdolna Kiss, have studied the roman-period antecedents and remains of the baths of the province of Pannonia, which in addition to modern transdanubia, also incorporated part of Slovenia, Croatia and austria (Burgenland) – the book summarizes their research conducted since the early 2000s in an academic format also intended for the broader public with lavish illustrations.
Varkocsfésű és szalu a Balatonudvari-Fövenyes temetőből
Authors: S. Perémi Ágota
Published: May 2021

A total of 616 burials were uncovered in 583 graves of the cemetery investigated in 2002, 2009–2010 and 2013. The burial ground is unusual in that the small, narrow valley lying north of road 71 on the outskirts of Balatonudvari was used during several periods. The site’s upper layer contained west to east oriented burials from the tenth–eleventh centuries, underneath which lay north to south oriented burials from the middle and late avar period. Some grave pits of the avar period had been repeatedly re-used and we documented several superimposed burials. The two unusual, rare finds presented and discussed here came to light in the cemetery’s northern part: a braid comb from grave 309 and a woodworking adze from grave 516, both part of the eastern heritage of the avar population.
Egy vándormotívum az avar kori Kárpát-medencében(oroszlán-, szenmurv- és szfinxábrázolások)
Authors: Szentpéteri József
Published: May 2021

Discussed here are the different lion depictions appearing in the social display of late Avar society with a broad regional and chronological perspective.
Identifying Targets to Improve Antenatal Care for Substance Misuse in Pregnancy: An Observational Study
Authors:   Princess of Wales Hospital, Bridgend, UK, CE Richards , M Allman ,   Princess of Wales Hospital, Bridgend, UK, M Mann ,   Princess of Wales Hospital, Bridgend, UK, S Nandanan ,   Princess of Wales Hospital, Bridgend, UK, A Bennett ,   Dyfed Road Health Centre, Neath, UK, A Saunders ,   Princess of Wales Hospital, Bridgend, UK, T Hildebrandt ,   Princess of Wales Hospital, Bridgend, UK, R Llewelyn ,   Neath Port Talbot Hospital, Port Talbot, UK, L Margarit ,   Neath Port Talbot Hospital, Port Talbot, UK
Published: May 2021

Background: Substance misuse in pregnancy contributes to increased maternal and fetal morbidity and mortality. Women who misuse drugs are, however, less likely to attend antenatal care. An observational study of the women who attended our substance misuse antenatal clinic was undertaken to identify targets for improving antenatal care for substance misuse in pregnancy derived from trends in maternal profiles, pregnancy outcomes and childhood consequences. Methods: Data were retrospectively analysed from computer records and patient notes of the women who attended substance misuse antenatal clinic (n=100) and children born from these pregnancies (n=99). Results: The women presented with complex heterogeneous substance misuse patterns. Attendance to the clinic was “good” in 73% with poor attendance in a sub-population with high alcohol use. Special care baby unit admissions (14% vs 6%, p=0.14) and length of hospital stay were greater than the non-substance misusing group (5.3 ± 7.4 vs 1.2 ± 1.3 days, p<005). More premature infants in the substance-misuse group had birth-weights less than the tenth centile (86% vs 0%, p<0.05). At five years, a higher percentage of children in substance-misuse group had an ocular diagnosis compared with the control (22% vs 4%, p=0.0029), and increased social service involvement and out-of-home care. Conclusions: We suggest better sexual health education for women in high-risk groups. This could be achieved by better integration between services. Antenatal care should target high-risk groups with earlier intervention and longer-term follow-up of children born to substance-misusing mothers.
Proximate Composition and Amino Acid Profile of the Edible Muscle of European Crayfish Astacus astacus L. Inhabiting the Orchomenos Region in Central Greece
Authors:   Department of Biology, National and Kapodistrian University of Athens, Greece, E Papachristou , AE Tyrpenou ,   Hellenic Agricultural Organization “DIMITRA” (former NAGREF), Veterinary Research Institute, Thessaloniki, Greece, I Kastritsi-Katharios ,   Department of Ichthyology and Aquatic Environment, University of Thessaly, Greece, Y Kotzamanis ,   Hellenic Centre for Marine Research (HCMR), Institute of Marine Biology, Biotechnology and Aquaculture, Fish Nutrition Lab, 46.7 km Athens-Sounion Avenue Anavyssos, Attiki 19013, Greece
Published: May 2021

The aim of this study was to determine the proximate composition and amino acid profile of the edible muscle of European crayfish Astacus astacus L. Animals were collected from Orchomenos region in Central Greece and muscle tissue samples were collected for chemical analysis. Total crude protein and crude lipid content of muscle tissues were determined using the Kjeldahl method and Folch’s procedure, respectively. Amino acids profile was performed by Ultra Performance Liquid Chromatographic (UPLC) determination of the acid hydrolysed muscle extract after derivatization with AccQ-Tag reagent (Waters, USA). The results showed that protein and lipid content of crayfish muscle tissue were 16.55 ± 0.4 g 100 g-1 and 0.52 ± 0.20 g 100 g-1, respectively. Also, the moisture and ash content were 80.93 ± 0.36 g 100 g-1 and 1.25 ± 0.14 g 100 g-1, respectively. Amino acids analysis of muscle tissue revealed that the highest values were those of glutamic acid (2.98 g 100 g-1) and arginine (2.19 g 100g-1) as well as those for aspartic acid (1.88 g 100 g-1), lysine (1.47 g 100 g-1) and leucine (1.33 g 100 g-1). The lowest values were found for histidine (0.35 ± 0.03 g 100 g-1) and methionine (0.47 ± 0.01 g 100 g-1). The results of this study showed that the crayfish of Orchomenos region can be considered as an important source of essential nutrients in the human diet due to its protein and essential amino acids content, which are relatively comparable to those of farmed sea bream (Sparus aurata L.), as well as to farmed and wild sea bass (Dicentrarchus labrax). However, the lipid content of Orchomenos crayfish was found to be insignificant and negligible. Overall, the protein quality of European crayfish can be considered as a main factor in selecting this species as a candidate species for European aquaculture diversification.
Failure-experiment-supported optimization of poorly reproducible synthetic conditions for novel lanthanide metal-organic frameworks with two-dimensional secondary building units
Authors: Kitamura Yu , Terado Emi , Zhang Zechen , Yoshikawa Hirofumi , Inose Tomoko , Uji-i Hiroshi , Tanimizu Masaharu , Inokuchi Akihiro , Kamakura Yoshinobu , Tanaka Daisuke
Published: May 2021

A series of novel metal organic frameworks with lanthanide double-layer-based inorganic subnetworks (KGF-3) was synthesized assisted by machine learning. Pure KGF-3 was difficult to isolate in the initial screening experiments. The synthetic conditions were successfully optimized by extracting the dominant factors for KGF-3 synthesis using two machine-learning techniques. Cluster analysis was used to classify the obtained PXRD patterns of the products and to decide automatically whether the experiments were successful or had failed. Decision tree analysis was used to visualize the experimental results, with the factors that mainly affected the synthetic reproducibility being extracted. The water adsorption isotherm revealed that KGF-3 possesses unique hydrophilic pores, and impedance measurements demonstrated good proton conductivities (σ = 5.2 × 10−4 S cm−1 for KGF-3(Y)) at a high temperature (363 K) and high relative humidity (95%).
Coherent Phonon Disruption and Lock-In During a Photoinduced Charge-Density-Wave Phase Transition
Authors: Reisbick Spencer A. , Zhang Yichao , Chen Jialiang , Engen Paige , Flannigan David
Published: May 2021

Ultrafast manipulation of phases and phase domains in quantum materials is a key approach to unraveling and harnessing interwoven effects of charge and lattice degrees of freedom. In the intensely-studied charge-density-wave (CDW) material, 1T-TaS2, static Rayleigh-phonon coupling to periodic lattice distortions (PLDs), as well as incommensurate (IC) domain growth and coarsening over the first 100 ps following femtosecond photoexcitation, suggests ultrafast, displacively-excited coherent acoustic phonons (CAPs) may strongly couple to PLDs. Here we find evidence for such coupling using 4D ultrafast electron microscopy (UEM). For ultrathin room-temperature crystals, photoinduced Bragg-peak dynamics spanning the first 75 ps are characterized by partial CAP coherence and localized low-amplitude c-axis dilations. These relatively weak, partially-coherent dynamics then give way to higher-amplitude, increasingly-coherent oscillations, the transition period of which is well-matched to timescales of photoinduced IC domain growth and stabilization from the nearly-commensurate (NC) phase. Diffraction experiments are correlated with nanoscale UEM imaging, where it is found that phonon wave trains emerge from nanoscale linear defects 100 ps after photoexcitation. The CAPs consist of coupled longitudinal and transverse character and propagate at an anomalously-high 4.6 nm/ps along wave vectors independent from NC-phase PLDs, instead being dictated by static defect orientation. Such behaviors illustrate a potential means to control phases in quantum materials using defect-engineered coherent-phonon seeding.
Solvation-Induced Onsager Reaction Field Rather than Double Layer Field Controls CO2 Reduction on Gold
Authors: zhu quansong , Wallentine Spencer , Deng Ganghua , Baker L. Robert
Published: May 2021

The selectivity and activity of the carbon dioxide reduction reaction (CO2R) are sensitive functions of the electrolyte cation. By measuring the vibrational Stark shift of in-situ generated CO on Au in the presence of alkali cations, we quantify the total electric field present during turnover and deconvolute this field into contributions from 1) the electrochemical Stern layer and 2) the Onsager, or solvation-induced, reaction field. The magnitude of the Onsager field is shown to be on the same order as the Stern layer field (∼10 MV/cm) but follows an opposite trend with cation, increasing from Li+< Na+< K+< Rb+≈Cs+. Contrary to theoretical reports,CO2R kinetics are not correlated with the Stern field but instead are controlled by the strength of the Onsager reaction field with Cs+ as an exception. Spectra of interfacial water as a function of cation show that Cs+ induces a change in the interfacial water structure correlated with a dramatic drop in CO2R activity, highlighting the importance of cation-dependent interfacial water structure on reaction kinetics. These findings show that both the Onsager reaction field and interfacial solvation structure must be explicitly considered for accurate modeling of CO2R reaction kinetics.
Thermal Expansion of Metal–Organic Framework Crystal–Glass Composites
Authors: Ashling Christopher , Lampronti Giulio I. , Southern Thomas J. F. , Evans Rachel , Bennett Thomas
Published: May 2021

Metal-organic framework crystal-glass composites (MOF CGCs) are a class of materials comprising a crystalline framework embedded within a MOF glass matrix. Here, we investigate the thermal expansion behavior of three MOF CGCs, incorporating two flexible (MIL-53(Al) and MIL-118) and one rigid (UL-MOF-1) MOF within a ZIF-62 glass matrix. Specifically, variable-temperature powder X-ray diffraction data and thermo-mechanical analysis show the suppression of thermal expansivity in each of these three crystalline MOFs when suspended within a ZIF-62 glass matrix. In particular, for the two flexible frameworks, the average volumetric thermal expansion (β) was found to be near-zero in the crystal-glass composite. These results provide a route to engineering thermal expansivity in stimuli-responsive MOF glass composites.
Correcting Frost Diagram Misconceptions Using Interactive Frost Diagrams
Authors: Dutton Kaitlyn , Lipke Mark C.
Published: May 2021

Frost diagrams provide convenient illustrations of the aqueous reduction potentials and thermodynamic tendencies of different oxidation states of an element. Undergraduate textbooks often describe the lowest point on a Frost diagram as the most stable oxidation state of the element, but this interpretation is incorrect because the thermodynamic stability of each oxidation state depends on the specific redox conditions in solution (i.e., the potential applied by the environment or an electrode). Further confusion is caused by the widespread use of different, contradictory conventions for labeling the y-axis of these diagrams as either nE° or −nE°, among other possibilities. To aid in discussing and correcting these common mistakes, we introduce a series of interactive Frost diagrams that illustrate the conditional dependence of the relative stabilities of each oxidation state of an element. We include instructor’s notes for using these interactive diagrams and a written activity for students to complete using these diagrams.
Proteochemometric Models Using Multiple Sequence Alignments and a Subword Segmented Masked Language Model
Authors: Gaspar Héléna Alexandra , Ahmed Mohamed , Edlich Thomas , Fabian Benedek , Varszegi Zsolt , Segler Marwin , Meyers Joshua , Fiscato Marco
Published: May 2021

Proteochemometric (PCM) models of protein-ligand activity combine information from both the ligands and the proteins to which they bind. Several methods inspired by the field of natural language processing (NLP) have been proposed to represent protein sequences. Here, we present PCM benchmark results on three multi-protein datasets: protein kinases, rhodopsin-like GPCRs (ChEMBL binding and functional assays), and cytochrome P450 enzymes. Keeping ligand descriptors fixed, we evaluate our own protein embeddings based on subword-segmented language models trained on mammalian sequences against pre-existing NLP-based descriptors, protein-protein similarity matrices derived from multiple sequence alignments (MSA), dummy protein one-hot encodings, and a combination of NLP-based and MSA-based descriptors. Our results show that performance gains over one-hot encodings are small and combining NLP-based and MSA-based descriptors increases predictive performance consistently across different splitting strategies. This work has been presented at the 3rd RSC-BMCS / RSC-CICAG Artificial Intelligence in Chemistry in September 2020.
Reverse Regioselectivity in Reductive Ring Opening of Epoxide Enabled by Zirconocene and Photoredox Catalysis
Authors: Yamaguchi Junichiro , Ota Eisuke , Hirao Marina , Aida Kazuhiro , Funabashi Aiko , Sugimura Natsuhiko
Published: May 2021

A ring opening of epoxide with zirconocene and photoredox catalysis has been developed. Compared to the ring opening methods with titanocene, the present protocol exhibited reverse regioselectivity to afford more-substituted alcohols via putative less-stable radicals. DFT calculations indicated that the observed regioselectivity could be explained by shifting the transition states to more reactant-like structures by changing the metal center of the metallocene catalyst.
3D Dense Convolutional Neural Networks Utilizing Molecular Topological Features for Accurate Atomization Energy Predictions
Authors: Gupta Ankur , Raghavachari Krishnan
Published: May 2021

Deep learning methods provide a novel way to establish a correlation between two quantities. In this context, computer vision techniques like 3D-Convolutional Neural Networks (3D-CNN) become a natural choice to associate a molecular property with its structure due to the inherent three-dimensional nature of a molecule. However, traditional 3D input data structures are intrinsically sparse in nature, which tend to induce instabilities during the learning process, which in turn may lead to under-fitted results. To address this deficiency, in this project, we propose to use quantum-chemically derived molecular topological features, namely, Localized Orbital Locator (LOL) and Electron Localization Function (ELF), as molecular descriptors, which provide a relatively denser input representation in three-dimensional space. Such topological features provide a detailed picture of the atomic configuration and inter-atomic interactions in the molecule and are thus ideal for predicting properties that are highly dependent on molecular geometry. Herein, we demonstrate the efficacy of our proposed model by applying it to the task of predicting atomization energies for the QM9-G4MP2 dataset, which contains ~134-k molecules. Furthermore, we incorporated the Δ-ML approach into our model, allowing us to reach beyond benchmark accuracy levels (~1.0 kJ mol−1). We consistently obtain impressive MAEs of the order 0.1 kcal mol−1 (~ 0.42 kJ mol−1) versus G4(MP2) theory using relatively modest models, which could potentially be improved further using additional compute resources.
A Chemical Approach to 2D-2D Heterostructures Beyond Van Der Waals: High-Throughput On-Device Covalent Connection of MoS2 and Graphene
Authors: Vázquez Sulleiro Manuel , Develioglu Aysegul , Quirós-Ovies Ramiro , Sabanés Natalia Martín , Gómez I. Jénnifer , Vera-Hidalgo Mariano , Sebastián Víctor , Santamaría Jesús , Burzurí Enrique , Pérez Emilio
Published: May 2021

The most widespread method for the synthesis of 2D-2D heterostructures is the direct growth of one material on top of the other. Alternatively, one can manually stack flakes of different materials. Both methods are limited to one crystal/device at a time and involve interfacing the 2D materials through van der Waals forces, to the point that all these materials are known as van der Waals heterostructures. Synthetic chemistry is the paradigm of atomic-scale control, yet its toolbox remains unexplored for the construction of 2D-2D heterostructures. Here, we describe how to covalently connect 2H-MoS2 flakes to several single-layer graphene field-effect transistors simultaneously, and show that the final electronic properties of the MoS2-graphene heterostructure are dominated by the molecular interface. We use a bifunctional molecule with two chemically orthogonal anchor points, selective for sulphides and carbon-based materials. Our experiments highlight the potential of the chemical approach to build 2D-2D heterostructures beyond van der Waals.
Cluster Models of FeMoco with Sulfide and Carbyne Ligands: Effect of Interstitial Atom in Nitrogenase Active Site
Authors: Le Linh , Bailey Gwendolyn , Scott Anna , Agapie Theodor
Published: May 2021

Nitrogen-fixing organisms perform dinitrogen reduction to ammonia at an iron-M (M = Mo, Fe, or V) cofactor (FeMco) of nitrogenase. FeMoco displays eight metal centers bridged by sulfides and a carbide having the MoFe7S8C cluster composition. The role of the carbide ligand, a unique motif in protein active sites, remains poorly understood. Toward addressing its function, we isolated synthetic models of subsite MFe3S3C displaying sulfides and a carbyne ligand. We developed synthetic protocols for structurally related clusters, [Tp*MFe3S3X]n-, where M = Mo or W, the bridging ligand X = CR, N, NR, S, and Tp* = tris(3,5-dimethyl-1-pyrazolyl)hydroborate, to study the effects of the identity of the heterometal and the bridging X group on structure and electrochemistry. While the nature of M results in minor changes, the μ3-bridging ligand X has a large impact on reduction potentials, with differences higher than 1 V, even for the same formal charge, the most reducing clusters being supported by the carbyne ligand.
Investigating “Lean” Electrodeposited Lithium and Sodium Metal for Hybrid Ion/Metal Carbon Composite Anodes
Authors: Kautz David , Tao Lei , Mu Linqin , Rahman Muhammad Mominur , Kuai Chunguang , Zheng Zhifeng , Lin Feng
Published: May 2021

The implementation of alkali metal anodes in practical batteries have been unsuccessful due to major safety concerns related to dendritic growth and thermal runaway. Carbon scaffolds have been utilized as promising host materials in an effort to improve battery safety and performance. Herein, “lean” lithium and sodium composite anodes, using a semi-crystalline carbon nanofiber (CNF) host material with limited surface functionalization, are utilized to investigate the relationship between the structural characteristics of the CNF and lithium/sodium metal. Symmetric testing reveals that the Na-CNF composite anode maintains stable cycling performance, with minimal hysteresis increase over 2000 hours, whereas Li-CNF fails before 200 hours. When paired with layered oxide cathodes (NaNi0.33Fe0.3Mn0.33Ti0.04O2 and LiNi0.6Mn0.2Co0.2O2 for sodium and lithium cells, respectively) and cycled at 1C, the Na-CNF cells maintain 75% capacity retention after 500 cycles, but the Li-CNF cells fail shortly after 140 cycles. The primary factor enabling stable long-term cycling for Na-CNF cells is that Na ion undergoes reversible ion intercalation, whereas Li ion is limited to surface adsorption. The inherent carbon crystallinity is found to govern the interaction between the carbon host and alkali metals and is a primary factor in the sustainability and performance of the metal composite anodes.
Vehicle speed influence on exhaust system surface temperature
Authors: Boiarshinov M. G. , Kuznetsov N. I.
Published: May 2021

Introduction. The reasons for the formation of an increased amount of condensate in the exhaust system of a car at a low ambient temperature are considered. Since the speed of the vehicle is one of the factors that determine the heating of the exhaust system and the formation of condensation, an experimental study was carried out to determine the temperature of the elements of the exhaust system at various vehicle speeds.

The purpose of this study: to establish the features of the temperature change of individual elements of the exhaust system, depending on time at different vehicle speeds

Materials and methods. The sequence of the experimental study consisted of starting the “cold” engine, accelerating the car and then moving the car at a constant speed for 20 minutes. Simultaneously with the start of the engine, the temperature of the elements of the exhaust system was recorded. In this study, thermocouples were used to measure the surface temperature of the exhaust system. Experimental studies were carried out on a Toyota Camry with a gasoline engine in the climatic conditions of the Perm Territory.

Results. The dependences of the temperature of the exhaust system elements on time were obtained at different speeds. In an experimental study, it was found that the temperature of the elements of the exhaust system is established within 8-12 minutes from the start of the vehicle at a constant speed; the rear muffler has the least surface heating, and therefore the greatest probability of the formation and accumulation of condensate.

Discussion and conclusion. The analysis of the peculiarities of the change in the temperature of the exhaust system during the movement of the vehicle in conditions of low ambient temperature is carried out. The established patterns can be used to obtain information on the processes of condensate accumulation in the exhaust system and are aimed at predicting the amount of condensate accumulation in the exhaust system; to develop new solutions to ensure reliable operation of the exhaust system.
Los derechos inherentes: una interpretación moral A propósito de la lectura formalista del artículo 173 de la Constitución de 1917
Authors: Aguirre Ricardo Marquisio
Published: May 2021

La reforma constitucional de 1917 introdujo una disposición (artículo 173, actual 72) cuya interpretación dogmática predominante ha sido traducirla como la «incorporación» de los derechos humanos al ordenamiento jurídico. La ponencia tiene dos objetivos. En primer lugar, a través de un caso constitucional paradigmático, mostrar cómo el formalismo de los derechos, originado en la lectura predominante de la Carta, ha generado un debate artificial y confuso sobre cuestiones morales y políticas que tiende a ocultar su carácter normativo. En segundo lugar, proponer una interpretación moral de dicho artículo que cumpla con tres requisitos básicos: a) ser relevante (de acuerdo con supuestos razonables sobre la naturaleza y la normatividad del derecho); b) ser compatible con el desacuerdo moral sobre los derechos típicos de una sociedad pluralista y democrática, y c) justificar una práctica jurídica no formalista. Denomino a la interpretación propuesta constructivismo interpretativo, pues combina supuestos teóricos del constructivismo ético con la teoría interpretativa de Ronald Dworkin. Desde esta visión, mientras que los derechos constitucionales son convencionales, las obligaciones morales de los ciudadanos de una democracia resultan inherentemente interpretativas, lo que determina la necesidad permanente de rediscutir los fundamentos de los derechos reconocidos.
“Amas mercenarias”. Amas de leche en el discurso médico. Montevideo 1900- 1930
Authors: Gastelumendi Cecilia Demarco
Published: May 2021

Este artículo se propone reconstruir la experiencia- en sentido Thompsoniano- de las amas de leche montevideanas en el período 1900- 1930. Para ello se ha recurrido fundamentalmente a informes y propuestas de regulación redactados por médicos. Estos se han contrastado con otras fuentes provenientes de la prensa, que trata el tema de forma menos frecuente y en menor profundidad. Para ello, el análisis de las representaciones culturales y de clase presentes en los textos médicos se han transformado en un segundo objetivo de la investigación. Esta ha partido de los presupuestos teórico- metodológicos de la historia social de trabajo, fundamentalmente informada por el concepto de experiencia de E. P. Thompson, del análisis del discurso de R. Guha y de la historia socio cultural de la enfermedad, particularmente por los trabajos de D. Armus.
THE CLINICAL COURSE OF MYOCARDIAL INFARCTION PECULIARITIES IN MEN UNDER 60 YEARS OLD WITH RECURRENT EPISODES OF ISCHEMIA
Authors: A.V. Gordienko , S.Yu. Epifanov , A.V. Sotnikov
Published: May 2021

Relevance. Recurrent myocardial infarction and early postinfarction angina negatively affects on the prognosis of myocardial infarction.
Aim. To evaluate myocardial infarction clinical features in men under 60 years old with recurrent myocardial infarction and early postinfarction angina to improve prevention and outcomes.
Material and methods. The study included men aged 19-60 years old with type I myocardial infarction. Patients are divided into two age-comparable groups: I - the study group, with recurrent myocardial infarction - 79 patients; II - control, without it - 432 patients. A comparative assessment of the myocardial infarction clinical features frequency in selected groups were performed.
Results. The studied groups did not differ in the frequency of the main variants of the myocardial infarction course. In patients of the study group more often than in the control group, a complicated course of the disease was observed (88.2 and 50.2%, respectively; p < 0.0001), deaths (13.6 and 3.4%; p < 0.0001). Complications in the study group were dominated by arrhythmias (47.3 and 33.7%; p = 0.007), cardiogenic shock (13.6 and 6.1%; p = 0.006), myocardial ruptures (3.6 and 0.5% ; p = 0.004), thromboembolism (15.5 and 2.2%; p <0.0001), urinary dysfunction (7.3 and 2.5%; p = 0.01), Dressler's syndrome (4.5 and 1.1%; p = 0.009) and mental disorders (16.4 and 5.6%; p < 0.0001).
Conclusions. Nonanginal forms of the disease in the study group were observed in 17% of cases. The complications of the disease for group I are characterized by cardiac arrhythmias and conduction disorders, thromboembolism, myocardial ruptures, cardiogenic shock, extracardiac complications of myocardial infarction. The study group has a worse prognosis, which requires early diagnosis, revascularization, the use of auxiliary mechanical devices, and careful implementation of standardized treatment algorithms.
EXPRESSION FEATURES OF CALCIUM-DEPENDENT RECEPTORS IN THE LUNGS IN EXPERIMENTAL COMPENSATED TRAUMATIC BRAIN INJURY
Authors: S.V. Zinoviev , N.G. Plekhova , I.V. Radkov
Published: May 2021

Purpose of the study: to assess the histochemical features of the localization of calciumdependent receptors of the left lung cell membrane on the 8th day of experimental compensated traumatic brain injury. Materials and methods: The object of the study was male albino outbred rats, three months old, weight 270-300 grams. Created two groups of animals: 1 - control: intact rats; 2- experimental: rats with TBI. To create a head injury, a model of a falling weight was used. Animals were withdrawn from the experiment on the 8th day of head injury. We studied paraffin sections of the left lung of rats. Using the Abcam kits (USA), an immunohistochemical study of the localization of endothelin -1 on sections of the left lung was carried out, the histochemical detection of calcium cations was performed using alizarin red C. Results. The morphofunctional characteristics of the lungs of rats with experimental traumatic brain injury were investigated. It was found that when the brain of experimental animals is damaged, lipid-associated lymphoid clusters appear in the root of the left lung of rats, and the content of endothelin-1 in cardiomyocytes of the pulmonary vein and epithelium of terminal bronchioles increases. A change in the histochemical characteristics of the localization of calcium cations in the cells and tissues of the left lung is revealed, which indicates a tendency towards the development of obstruction of terminal bronchioles and migration of macrophages into the parenchyma of the alveoli. Conclusion: Thus, with TBI, the mechanisms of humoral regulation of the respiratory system function significantly change. Histochemical study of endothelin 1 revealed that the expression in the lung tissues is calcium-dependent. receptor and mediator systems of cell membranes. These data are confirmed by staining the lungs with alizarin red C.
SYNTHESIS OF 3- (1,1-DIOXIDOTHIETAN-3-YL) -6-METHYLURACIL AND HYDRAZONE DERIVATIVES
Authors: A.S. Melnikov , S.A. Meshcheryakova
Published: May 2021

Uracil derivatives containing various N1, N3 substituents are characterized by various pharmacological and biological activities. Since the beginning of the XXI century, among them, new biologically active substances have been discovered that have pronounced antiparasitic, antibacterial, antioxidant properties. Known that modern methods of treatment and prevention of many diseases involve the inclusion of substances that have the ability to stimulate immune processes. Such compounds, in particular, include derivatives of nucleoside bases with high biological activity. Derivatives of 6-methyluracil containing a hydrazone system are widely studied in the treatment of Alzheimer's disease, antifungal, antiviral, antianginal, anti-eczema and other types of activity.
The study of the alkylation of 6-methyluracil, which contains hydrazone systems in the role of pharmacophore fragments, is one of the topical trends in the synthesis of new chains of biologically active compounds.
Purpose: For this purpose, we studied the alkylation of 6-methyl-3- (1,1-dioxidothietan-3-yl) pyrimidin-2,4 (1H, 3H)-dione with 1-chloropropan-2-one and the interaction of the resulting N1- 2-oxopropyl derivative with various hydrazines.
Materials and Methods: The individuality of the new compounds was confirmed by the method of thin layer chromatography and determination of the melting point. The structure of the synthesized substances was confirmed by elemental analysis and NMR spectroscopy. Statistical data processing was carried out using variational analysis using the STATISTICA 8.0 software package. Student's test was chosen as a criterion for the representativeness of statistical processing.
A preliminary analysis of toxicity and types of potential biological activity was carried out in silico using the resources of the Internet platform Way2Drag.
Conclusions: Methods of synthesis have been developed and the most probable types of biological and pharmacological influence have been statistically processed, proceeding from the value of the probability of being active and the probability of inertness. Based on the analysis of data, modeled types of biological activity, some patterns of "structure-activity" are determined.
In the conclusion, further directions of research are identified.
CHARACTERISTICS OF THE INTERRELATION OF VASOMOTOR SYMPTOMS WITH BODY MASS INDEX
Authors: I.V. Neufeld , A.I. Zhirnyakov , M.V. Kuznetsova , I.V. Bobyleva , I.E. Rogozhina
Published: May 2021

The mechanisms of the emergence of "hot flashes" are actively considered, but still insufficiently studied. A woman's body weight is a modifiable risk factor, that is, amenable to both non-drug and drug correction. Therefore, the relevance of studying this risk factor for hot flashes is high.
The purpose of this study is to study the relationship between vasomotor symptoms and body mass index in women.
The study included 228 women with vasomotor complaints in the early postmenopausal period. The average age at the onset of menopause was 51.6 years (47.2; 53.4), while the median duration of menopause was 4.1 years (2.2; 5.0).
Our results indicate the possibility of hot flashes in women with different body mass index.
In obese women, severe menopausal syndrome (MS) is less common (5.7%) than in women with overweight (8.3%) or normal body weight (6.1%); while the average degree of MS is most often observed in patients with normal body weight (21.5%), less often with obesity (14.9%) and overweight (10.1%); mild MS is most often observed in patients with normal body weight (18%), less often with obesity (10.1%) and overweight (5.3%).
It was found that in women with obesity, the severity of the initial signs of MS is not high (on average, up to 5-6 hot flashes per day), severe MS is less common than in women with overweight or normal body weight.
Thus, hot flashes occur in women regardless of the woman's body weight and "obesity" is not able, as previously thought, to "protect" a woman from the appearance of hot flashes.
EXPERIENCE OF LONG-TERM USE OF DIENOGEST FOR THE TREATMENT OF ADENOMYOSIS
Authors: O.B. Kalinkina , Yu.V. Tezikov , I.S. Lipatov , O.R. Aravina
Published: May 2021

Endometriosis refers to a chronic, often recurrent disease that requires the appointment of a long-term management plan and the patient with the appointment of therapy that effectively affects the clinic of this disease, at the same time having good tolerability, ensuring the patient's adherence to this method of treatment. This dictates the need for careful selection of a drug that meets such requirements. Moreover, studies of drug therapy for endometriosis should also be prolonged. In this case, they allow you to qualitatively assess the effectiveness of a particular type of treatment in the context of routine clinical practice. The main clinical manifestations of endometriosis of the uterine body-adenomyosis are pain syndrome, manifested by various types of pain (dysmenorrhea, dyspareunia, dyschesia, chronic pelvic pain) and the presence of abundant uterine bleeding. The presented clinical case demonstrates the effectiveness of long-term (for 36 months) use of dienogest at a dosage of 2 mg per day (the drug Vizanna) in a continuous mode in the treatment of a patient with adenomyosis. By the 4th month of therapy, the pain syndrome, manifested by dysmenorrhea and dyspareunia, which is the leading clinical manifestation of this pathology in the patient, was completely stopped. The proposed type of therapy has also demonstrated its effectiveness in relation to another clinical manifestation of the disease - heavy uterine bleeding. By the 6th month of therapy, the patient had developed persistent amenorrhea. Good tolerability and the absence of side effects, along with a pronounced clinical effect, led to a high adherence of the patient to this type of drug therapy and allowed her to continue it in the future with dynamic monitoring.
Przedszkolny plac zabaw z perspektywy dzieci
Authors: Zwiernik Jolanta
Published: May 2021

The main aim of the article is to draw attention to research conducted in the perspective of children’s studies showing new possibilities of conceptualizing childhood in the space of scientific discourse. What is important for this current of research is to give voice to children and listen to what they have to say about the manifestations of their everyday life. This has been made possible through the use of elements of Alison Clark’s mosaic approach, such as free conversations with children, their photographs and drawing projects of the square they dream of. From the conversations with children and the analyses carried out, a “discourse of danger” has emerged which is dominant among teachers, but which children do not perceive as oppression, but rather tend to avoid unwanted behaviour and search for convenient nooks and crannies. The pedagogue’s perspective obliges the reader to pay attention to the consequences of the identified discourse, limiting children’s opportunities to acquire important motor and social skills, thus reducing their chances of becoming an independent and responsible subject.
Molecular structure, FT-Raman, IR, NLO, NBO, HOMO—LUMO analysis, physicochemical descriptors, ADME parameters, and pharmacokinetic bioactivity of 2,3,5,6-tetrachloro-p-benzoquinone
Authors: Suvitha A. , El-Mansy M.A.M. , Kothandan G. , Steephen A.
Published: May 2021

Vibrational, NLO, NBO, FMO, NMR substance move, and an auxiliary investigation of 2,3,5,6-tetrachloro-p-benzoquinone, utilizing quantum computational figuring, are performed. Atomic geometry, Mulliken charges, and vibrational wavenumbers are resolved by Hartree—Fock (HF) and DFT calculations in the B3LYP framework with the 6-311++G(d,p) premise set and confirmed by the experimental information. The potential energy distribution (PED) generates the assignments of vibrational wavenumbers. An analysis of the electronic properties is carried out using the time-autonomous DFT technique, providing HOMO and LUMO energies. Molecular electrostatic potential (MEP), natural bond orbitals (NBO), and nonlinear optical (NLO) properties are also reported. 13C and 1H NMR synthetic movements are distinguished by the GIAO procedure and diverged from the test substance move. The TED commitment as a blended mode with different vibrations is around 75 %. Physicochemical descriptors, ADME boundaries, pharmacokinetics, pH significance, medicative and restorative nature are proces­sed for the title compound. These properties are computed utilizing a computer aided drug design to encourage the sedate disclosure.
Synthesis, crystal structure, and a DFT study of tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylate
Authors: Ye W.-J. , Chen D.-M. , Wu Q.-M. , Chen Y.-M. , Yang D.-Z. , Liao T.-H. , Zhou Z.-X.
Published: May 2021

Tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylate is a significant intermediate of 1H-indazole derivatives. In this paper, the title compound is acquired through two substitution reactions. The structure is corroborated by FTIR, 1H and 13C NMR spectroscopy, and MS. In the meantime, the single crystal is detected by means of X-ray diffraction, calculated by exerting density functional theory (DFT), and subjected to the crystallographic and conformational analysis. The results of comparing the DFT calculated value with the X-ray diffraction value display that the optimized molecular structure does cohere with the single crystal structure ascertained via the experiment. The 98.28 % stable conformer and 1.72 % unstable conformers are found in the DFT calculations. Furthermore, to reveal the physicochemical features of the title compound, the molecular electrostatic potential and frontier molecular orbitals are investigated through DFT.
Структура комплексов в растворах HCl—изопропиловый спирт и равновесный состав системы
Authors: Тараканова Е.Г. , Майоров В.Д. , Кислина И.С.
Published: May 2021

Исходя из закономерностей образования комплексов с водородными связями в бинарных системах, методом теории функционала плотности рассчитаны строение, энергетические и спектральные параметры фрагментов растворов C3H7OH—HCl разных составов. Показано, что в системе C3H7OH—HCl (1:0—6:5) можно выделить шесть концентрационно-структурных зон. Жидкий изопропиловый спирт состоит из циклических гексамеров (C3H7OH)6. Растворы каждой из пяти последующих зон содержат циклические фрагменты двух видов, средние энергии H-связей в которых (~30—74 ккал/моль) в 5—10 раз больше, чем в гексамере (C3H7OH)6. Основные взаимодействия между компонентами в системе C3H7OH—HCl происходят внутри таких фрагментов (практически изолированных друг от друга алкильными группами молекул C3H7OH). В них образуются неизвестные ранее комплексы с двумя квазисимметричными мостиками — Cl⋯H⋯O и O⋯H⋯O, имеющими общий атом кислорода, — сопряженные сольваты протона. В концентрированных растворах, помимо сопряженных сольватов протона, присутствуют также фрагменты состава 2:2, каждый из которых содержит четыре мостика Cl⋯H⋯O с близкими параметрами. Полученные из расчета данные о структуре растворов C3H7OH—HCl и строении образующихся в них комплексов позволили объяснить, почему максимальная плотность этих растворов и предельное значение растворимости в них HCl соответствуют мольному соотношению компонентов, близкому к 6:5, и интерпретировать все особенности их ИК спектров.
Synthesis and anticancer activity against retinoblastoma of novel Zn(II) and Co(II) complexes
Authors: Huang H. , Li Yuan-Yuan , Li H.-R.
Published: May 2021

A binucleating Schiff base ligand 2-methoxy-6-(iminomethyl)phenol (HL) and two new M(II) complexes [Zn4L4(N3)4](H2O)2 (1) and [Co4L4Cl4] (2) are synthesized. These metal complexes are characterized using various physicochemical techniques, e.g. elemental analyses and single crystal X-ray diffraction. Furthermore, both CCK-8 assay and cell colony formation results indicate that the inhibitory activity of compound 1 against Y79 retinoblastoma cancer cells is stronger than that of compound 2. In addition to this, we also reveal that compound 1 can significantly increase the ROS accumulation in Y79 retinoblastoma cancer cells, which is higher than that in the group treated with compound 2. All the results above suggest a stronger anticancer activity of compound 1 compared to compound 2 and that it has the potential of being a novel candidate for retinoblastoma cancer treatment.