bluuebunny/crossref_metadata_2025 huggingface dataset:
Student Squads as Agents of Socialization of Student Youth (Based on Research in the Altai Territory)
Authors: Akhmedova Angelina Rustamovna , Koda Egor Aleksandrovich , Sterlyadeva Natalya Anatolevna , Lapteva Dar'ya Nikolaevna , Oleinikova Elizaveta Pavlovna
Published: April 2023

Student groups in sociological science are studied from the point of view of interaction with youth policy management bodies, the formation of specialists in the labor market, and socialization tools. It seems heuristic to consider student groups as agents of socialization, carrying out their activities through social practices. Within the framework of this work, we will focus on the movement of student detachments as an important agent of the socialization of student youth, since student detachments provide labor training and inclusion in the work of students, form patriotism and love for the Motherland, and also ensure the development of the potential of young people in various aspects of modern life. Student groups as agents of socialization of students perform a number of dysfunctions, including emotional and economic aspects, additional workload, negative interaction with other people. Despite this, the fighters of student squads highly appreciate the level of adaptability to professional activity and the level of leadership qualities acquired or developed in the student squad, this is confirmed by experts. Each student named a number of qualities that he acquired or developed thanks to student teams, including: responsiveness, openness, confidence, perseverance, patience, stress tolerance, diligence, determination, punctuality, sociability, responsibility for himself and others, the ability to solve conflict and problem situations, the ability to delegate, as well as make quick decisions.
"Labor culture" and "cultural revolution" in the USSR. The activity of the CIT in the 1920s - 1930s.
Authors: Nadekhina Yuliya Petrovna , Kryukova Elena Vyacheslavovna , Geokchakyan Artem Gevorgovich
Published: April 2023

Today we are witnessing a transition to new forms of work culture, in the context of the transition from an industrial economy to a digital one. Similar processes took place during the formation of the Soviet state. Then, the culture of work was undergoing its transformation from the conditions of the traditional economy to the conditions of the industrial world. Labor institutions created in the 1920s played a special role in these processes. The main purpose of the article is to analyze the process of forming a new work culture through the activities of the Tsitovites, which took place in the conditions of the cultural revolution in the USSR. The relevance of the topic is due to the historical aspect of the consideration of the described problem, not the economic one. The authors turn to the periodical press of the designated period, to archival documents, as well as to modern scientific research. As a result, the authors come to the conclusion that in the 1920s - 30s in the USSR, the processes of formation of labor culture and the cultural revolution went on in parallel and actively influenced each other. In our country, the principles of scientific organization of labor acquire the character of an important tool for speedy progress towards the restoration of the national economy after the devastation of the First World War and the Civil War. The activities of the Central Institute of Labor laid the foundation for a creative approach to labor relations, a special role in this belonged to the director of the CITA – A.K. Gastev.
STATE REGULATION OF INNOVATIVE AND INVESTMENT ENTREPRENEURSHIP DEVELOPMENT
Authors:   National University “Kyiv-Mohyla Academy”, Bazilinska Olena
Published: April 2023

The article substantiates the main theoretical and methodological principles of state regulation of innovation and entrepreneurship investment development. The purpose of the article is to form the conceptual foundations of state regulation of entrepreneurship innovation and investment development based on the development of new adaptation mechanisms under the conditions of transformational economic processes. The main characteristics of Ukrainian entrepreneurship have been highlighted, which determine its priority for the state economic policy in comparison with other spheres of economic activity. The main components of innovative and investment development of entrepreneurship, on which the attention of state authorities should be focused, have been substantiated, and the main goals of state regulation are highlighted. The main factors influencing the innovation and investment development of entrepreneurship have been identified, which include the level of corruption, the state's ability to provide preferential conditions for conducting business, and the state and prospects of state support for foreign economic activity. It has been substantiated that the synergistic approach directs the process of managing innovation and investment development in the direction of self-organization of complex systems, which includes the entrepreneurship sector with its complex multifunctional aspects of existence. Synergistic resources of innovation and investment development of entrepreneurship and their effective use completely depends on the actions of the state apparatus and the formed state policy in this direction. The mechanism of state regulation of innovation and investment development of entrepreneurship has been developed, its structure, tasks and functional content have been determined. Implementation of the mechanism is carried out by including a number of organizational and financial instruments. Among the organizational ones, it is advisable to single out the regulatory and legal and programmatic components, which relate to legal support and regulatory support of the implemented procedures. The financial component of the mechanism's instrumental support is a set of means of tax regulation and promotion of self-investment of entrepreneurship, as well as financial and investment instruments of state influence.
INNOVATION SYSTEM AS A BASIS FOR NATIONAL ECONOMIC DEVELOPMENT
Authors:   Private higher educational institution “European University”, Kotvytska Nataliia
Published: April 2023

The article discusses the importance of the innovation system in the economic development of a country and its impact on various sectors of the economy, enhancing competitiveness, ensuring sustainability, and improving the quality of life of the population. Different aspects of the innovation system are examined, including its components, structure, processes, relationships, and interactions, as well as mechanisms for its development. The role of the innovation system in the development of the economy is analyzed, and it is demonstrated that the importance of developing an innovation system for the national economy lies in its ability to enhance competitiveness and support sustainable economic development.Current trends and problems in the development of the innovation system worldwide are investigated, and ways to improve its functioning are proposed. Various typesof innovation systems, including technological, social, and business innovations, are also examined, and the positive economic consequences of innovation development are analyzed.The research is based on the use of theoretical sources and the study of the experience of foreign and domestic scientists regarding the development of the innovation system. Scientific achievements are summarized and the expediency of creating and functioning of clusters as a tool for increasing the competitiveness of the national economy is substantiated. The result of the research is the formulation of recommendations to improve the effectiveness of the innovation system and ensure its compliance with current requirements and trends in the development of the global economy. In addition, the research aims to popularize the concept of an innovation system among the business community, scientific community, and government structures, which will contribute to the further development of this field.
ORGANIZATIONAL AND ECONOMIC ENSURING THE PROVISION OF DIGITAL SERVICES: EUROPEAN EXPERIENCE
Authors:   Chernihiv Polytechnic National University, Samoilovych Anastasiia
Published: April 2023

The article examines the current state of development of digital services in the countries of the European Union. Key infrastructure components have been formed. The importance of each of them in the conditions of the current state of development of digitalization is substantiated. The experience of organizational and economic support for the provision of digital services of the EU countries in terms of the relevant institutional and legal aspects, implemented at the national level of the leading countries in this field, is considered. A conceptual model of organizational and economic support for the provision of digital services in the regions of Ukraine based on the implementation of the EU experience is proposed, which will cover structural and management components.Summarizing the results of the research, the author formed a conceptual approach to the organizational and economic provision of digital services in the regions of Ukraine based on the implementation of EU experience, covering structural and management components.The structural component of the model will include the organizational basis of the process of providing digital services, determining the object and subject composition of the process, the classification of types of digital services according to content, the key principles of providing digital services in modern conditions, and a list of the most important tools that provide stable operation and development of digital services.The management component of the model will cover the main supporting points of the development of the system of providing digital services at the state level as part of the general comprehensive policy of digital transformation, which includes institutional and legal support (a list of key aspects of the reform of the domestic regulatory and legal field inthe context of the development of the digital services market and proper legal protection of its participants), priority areas of development (the most relevant areas of ensuring the provision of digital services based on the analysis of experience and effective digital practices used by EU countries), cyber security (ensures the implementation of the security component in the context of information protection as a key resource in the functioning of the model).Therefore, the formation of a comprehensive understanding of the structural components of the process of providing digital services and the involvement of progressive management practices (both in the legislative and in the digital field) will allow the integration of the existing experience of European countries and the formation of an effective system of organizational and economic support for the provision of digital services in the regions of Ukraine.
Оn the Issue of Providing a Citizen a Land Plot in Public Property without Bidding for Haymaking or Grazing of Farm Animals
Authors: Sukalo V. A.
Published: April 2023

Based on the analysis of paragraphs 19 of part 2 of art. 39.6 of the Land Code of the Russian Federation and law enforcement practice, it is concluded that the current version of this rule of law does not provide citizens with a real opportunity to lease publicly owned land plots without bidding for the purposes of haymaking or grazing farm animals for personal needs due to an unjustifiably restrictive interpretation in law enforcement practice of the possible size of the area such sites and the lack of a uniform understanding of the purposes of providing these sites, related to the definition of personal or business needs, which carries a significant risk for already concluded lease agreements to be invalidated. The importance of the allocation of a separate basis in Part 2 of Article 39.6 of the Land Code of the Russian Federation – the provision of a land plot to a citizen for haymaking, grazing of farm animals, as well as the establishment in the legislation of the subjects of the Russian Federation of the maximum size of the area of land plots provided to citizens specifically for haymaking or grazing of farm animals is substantiated; it is concluded that it is necessary to amend the List of documents confirming the applicant’s right to purchase a land plot without bidding, in terms of the obligation to request information about the presence or absence of a citizen of entrepreneurial status.
Bir Pandemi Hastanesindeki Sağlık Çalışanlarının COVID-19 Korkusunun Tükenmişlik ile İlişkisinin İncelenmesi
Authors: Bulut Hülya , Bozkurt Canan , Kamiloğlu Dilek , Kızıloğlu İlker
Published: April 2023

Giriş: Pandemi döneminde sağlık çalışanlarında COVID-19 korkusu, sağlık çalışanlarının tükenmişliklerini etkileyerek onların duygusal, duyarsızlaşma ve mesleki başarı duygusunda azalmaya neden olmuştur.
Amaç: Bu çalışmanın amacı, bir pandemi hastanesindeki sağlık çalışanlarının COVID-19 korkusunun tükenmişlik ile ilişkisinin incelenmesidir.
Gereç ve Yöntem: Bu çalışma tanımlayıcı, kesitsel ve ilişkisel olup, örneklemini İzmir’de bir pandemi hastanesinde görev yapan ve araştırmaya katılmayı kabul eden 400 sağlık çalışanı oluşturmuştur.
Bulgular: Sağlık çalışanlarının yaş ortancası 39 (31.25-44); %49.9’u hemşire, %23’ü hekimdir. Katılımcıların %65.7’si COVID-19 geçirmediğini, %36.5’i pandemi döneminde evini ayırdığını, %61’i ise pandemi döneminde bakmakla yükümlü olduğu bireyler olduğunu ifade etmiştir. Çalışanların ölçeklere verdikleri puan ortalamaları ise COVID-19 korkusu vizüel analog skala 7 (6 - 9) (0-10), COVID-19 korkusu ölçeği 3.14 (2.57-3.86); tükenmişlik alt boyutlarından duygusal tükenme 28; duyarsızlaşma 10; kişisel başarı ise 30’dur. Yapılan değerlendirme sonucunda COVID-19 korkusunun tükenmişlik puanları ile ilişkisi olmadığı bulunmuştur.
Sonuç: Bu çalışmadan elde edilen veriler doğrultusunda COVID-19 korkusu ile tükenmişlik alt boyutları arasında istatistiksel olarak anlamlı farklılık bulunmamasına karşın, pandemi döneminde en ön cephede yer alan her meslekten sağlık çalışanının COVID-19 korkusu ile duygusal tükenme yaşamalarına karşın duyarsızlaşma puanlarının oldukça düşük olması ve kişisel başarı puanlarının ise yüksek olması, verdikleri ayakta kalma mücadelesinden kaynaklı olduğu düşünülmektedir
The role of learning in cooperation in the process of learning foreign languages by students of nonspeech specialties
Authors: Башеров О.И. , Миронова Д.А. , Кардович И.К. , Година Д.Х.
Published: April 2023

Анализ научной литературы и изучение опыта иноязычной подготовки студентов свидетельствуют о том, что существует потребность в дальнейшей разработке теоретических и практических аспектов иноязычных неречевых специальностей, способствующих эффективному овладению иностранным языком как средством межкультурного, профессионального общения в различных сферах научной деятельности. Сегодня иноязычная подготовка в высших учебных заведениях осуществляется на всех образовательно-квалификационных уровнях, которые характеризуются спецификой целей, задач, содержания, методов и условий обучения. Важным в процессе иноязычной подготовки студентов является развитие креативных умений, которые помогают личности проявлять творческую индивидуальность, активность, продуцировать оригинальные идеи, применять творческий подход в решении задач. Основной целью преподавания иностранного языка для неречевых специальностей является достижение уровня практического владения языком, что позволяет использовать его в профессиональной деятельности, научной работе и обеспечивает коммуникативную самостоятельность ученого в сферах профессионального и академического общения в устной и письменной формах.

The analysis of scientific literature and the study of the experience of foreign language training of students indicate that there is a need for further development of theoretical and practical aspects of foreign language non-speech specialties that contribute to the effective mastery of a foreign language as a means of intercultural, professional communication in various fields of scientific activity. Today, foreign language training in higher education institutions is carried out at all educational and qualification levels, which are characterized by the specifics of goals, objectives, content, methods and conditions of training. Important in the process of foreign language training of students is the development of creative skills that help a person to show creative individuality, activity, produce original ideas, apply a creative approach to solving problems. The main purpose of teaching a foreign language for non-speech specialties is to achieve a level of practical language proficiency, which allows it to be used in professional activities, scientific work and ensures the communicative independence of a scientist in the fields of professional and academic communication in oral and written forms.
The use of knowledge integration (integrated classes) and interdisciplinary connections in the course of teaching physics and technical disciplines
Authors: Балашов А.М.
Published: April 2023

Связи между элементами знаний и умений из разных учебных предметов способствуют формированию всесторонне развитой творческой личности, которая овладела системными знаниями, общенаучными умениями и навыками и умеет применять межпредметный перенос знаний и умений для решения новых познавательных задач. Межпредметные связи являются определяющими в решении проблемы интеграции и координации обучения. Интеграция-это процесс и результат создания неразрывно связанного, единого, сплошного. Межпредметные связи реализуются сочетанием интеграции и координации знаний, которые взаимно дополняются и способствуют формированию у учащихся единой картины мира, научного мировоззрения. Сейчас эта проблема актуальна для школы в связи с созданием интегрированных курсов (математика с информатикой, естествознание, обществоведение). Межпредметные связи направлены на предоставление учащимся системы политехнических знаний по схожим предметам: математика - физика - химия - биология - география - чертежи - трудовое обучение. В данном исследовании мы изучали документы за последние 10 лет в разрезе интеграции знаний, не только в России, но и зарубежом. В нашей стране, и в зарубежных системах образования давно ставилась задача создания единого интегрированного курса математики, не разделенного на предметы - алгебру, геометрию, алгебру и начала анализа.

Connections between elements of knowledge and skills from different academic subjects contribute to the formation of a comprehensively developed creative personality who has mastered systemic knowledge, general scientific skills and is able to apply interdisciplinary transfer of knowledge and skills to solve new cognitive tasks. Interdisciplinary connections are crucial in solving the problem of integration and coordination of training. Integration is the process and result of creating an inextricably linked, unified, continuous. Interdisciplinary connections are realized by a combination of integration and coordination of knowledge, which are mutually complemented and contribute to the formation of a unified picture of the world, a scientific worldview among students. Now this problem is relevant for the school in connection with the creation of integrated courses (mathematics with computer science, natural science, social studies). Interdisciplinary connections are aimed at providing students with a system of polytechnic knowledge in similar subjects: mathematics - physics - chemistry - biology - geography - drawings - labor training. In this study, we have studied documents over the past 10 years in the context of knowledge integration, not only in Russia, but also abroad. In our country and in foreign education systems, the task has long been to create a single integrated mathematics course, not divided into subjects - algebra, geometry, algebra and the beginning of analysis.
Communicative approach in teaching grammar of a foreign language to students of technical specialties
Authors: Мохова О.Л. , Жигалова М.Р. , Сведенцова И.Н. , Сосфенова И.А.
Published: April 2023

В настоящее время в связи с социально-экономическими обстоятельствами растет спрос на специалистов, обладающих не только профессиональными навыками, но и умением свободно общаться на иностранном языке и самостоятельно принимать решения. Актуальной задачей в условиях глобализации является поиск эффективных путей изучения иностранного языка. Будущие специалисты должны обладать иноязычной коммуникативной компетентностью на высоком уровне. Важным средством международного общения и инструментом эффективной межкультурной коммуникации выступает иностранный язык по профессиональному направлению студентов. Одной из самых актуальных проблем современной методики является уменьшение количества аудиторных часов на изучение иностранного языка. Самостоятельная деятельность и автономия студентов способствуют эффективному овладению иноязычным материалом, стимулирует познавательные и профессиональные интересы, развивает творческую активность и инициативу, способствует росту мотивации обучения. Для достижения надлежащего уровня сформированности иноязычной коммуникативной компетентности необходимо использование адекватных современным требованиям стратегий обучения студентов нелингвистических специальностей иностранного языка.

Currently, due to socio-economic circumstances, there is a growing demand for specialists who have not only professional skills, but also the ability to communicate fluently in a foreign language and make decisions independently. An urgent task in the context of globalization is to find effective ways to learn a foreign language. Future specialists should have a high level of foreign language communicative competence. An important means of international communication and an instrument of effective intercultural communication is a foreign language in the professional direction of students. One of the most pressing problems of modern methodology is to reduce the number of classroom hours for learning a foreign language. Independent activity and autonomy of students contribute to the effective mastery of foreign language material, stimulates cognitive and professional interests, develops creative activity and initiative, contributes to the growth of learning motivation. In order to achieve the appropriate level of formation of foreign language communicative competence, it is necessary to use strategies adequate to modern requirements for teaching students of non-linguistic specialties of a foreign language.
Discovering life’s directed metabolic (sub)paths to interpret biochemical markers using the DSMN
Authors: Slenter Denise , Kutmon M. , Evelo Chris T. , Willighagen Egon L.
Published: April 2023

Metabolomics data analysis for phenotype identification commonly reveals only a small set of biochemical markers, often containing overlapping metabolites for individual phenotypes. Differentiation between distinctive sample groups requires understanding the underlying causes of metabolic changes. However, combining biomarker data with knowledge of metabolic conversions from pathway databases is still a time-consuming process due to their scattered availability. Here, we integrate several resources through ontological linking into one unweighted, directed, labeled bipartite property graph database: the Directed Small Molecules Network (DSMN). This approach resolves several issues currently experienced in metabolic graph modeling and data visualization for metabolomics data, by generating (sub)networks of explainable biochemical relationships. Three datasets measuring biomarkers for healthy aging were used to validate the results from shortest path calculations on the biochemical reactions captured in the DSMN. The DSMN is a fast solution to find and visualize biological pathways relevant to sparse metabolomics datasets. The generic nature of this approach opens up the possibility to integrate other omics data, such as proteomics and transcriptomics.
Comparing transferability in neural network approaches and linear models for machine-learning interaction potentials
Authors: Ammothum Kandy Akshay Krishna , Rossi Kevin , Raulin-Foissac Alexis , Laurens Ga ́etan , Lam Julien
Published: April 2023

Atomic simulations using machine learning interatomic potential (MLIP) have gained a lot of popularity owing to their accuracy in comparison to conventional empirical potentials. However, the transferability of MLIP to systems outside the training-set poses a significant challenge. Here, we compare the transferability of three MLIP approaches: i) Neural Network Potentials (NNP), ii) Physical LassoLars Interactions Potential (PLIP) and iii) Linear Potentials with Belher-Parrinello descriptors, trained over a small but diverse configuration of zinc oxide polymorphs. We compared the obtained models with density functional theory reference results for physical properties including bulk lattice parameters, surface energies, and vibrational density of states and showed the superiority of both NNP and PLIP models. However, the NNP model performed poorly when compared to the other two linear models for the structural optimization of nanoparticles and molecular dynamics simulation of liquid phases, which are systems outside the training-set. While providing less accurate prediction for solid Zinc Oxides phases, both linear models appear more transferable than NNP when testing for nanoscale systems and liquid phases. Our results are finally rationalized by a combination of different statistical analysis including spread in force evaluation, information imbalance, convex hull calculation and density in descriptor space.
Post-Activation Function for Managing the Behavior of a Neural Network Potential with a Low-Dimensional Potential
Authors: Badichi Akher Farideh , Shu Yinan , Varga Zoltan , Bhaumik Suman , Truhlar Donald
Published: April 2023

Machine-learned representations of potential energy surfaces generated in the output layer of a feedforward neural network are becoming increasingly popular. One difficulty with neural-network output is that it is often unreliable in regions where training data is missing or sparse. Human-designed potentials often build in proper extrapolation behavior by choice of functional form. Because machine learning is very efficient, it is desirable to learn how to add human intelligence to machine-learned potentials in a convenient way. One example is the well understood feature of interaction potentials that they vanish when subsystems are too far separated to interact. In this article, we present a way to add a post-activation step to a neural network to enforce low-dimensional constraints. We illustrate the use of this step by showing how it can force an interaction potential to go to zero at large subsystem separations with either inputting a specific functional form for the potential or adding data to the training set in the asymptotic region of geometries where the subsystems are separated. In the process of illustrating this, we present an improved set of potential energy surfaces for the 14 lowest 3A´ states of O3. The method is more general than this example, and it may be used to add other low-dimensional knowledge to machine-learned potentials. As an example, we present a greater-generality method called physically managed diabatization by deep neural network (PM-DDNN) that is an improvement on our previously presented permutationally restrained diabatization by deep neural network (PR-DDNN).
Mechanochemistry-Amended Barbier Reaction as an Expedient Alternative to Grignard Synthesis
Authors: Nallaparaju Jagadeesh Varma , Nikonovich Tatsiana , Jarg Tatsiana , Merzhyievskyi Danylo , Aav Riina , Kananovich Dzmitry
Published: April 2023

Organomagnesium halides (Grignard reagents) are essential carbanionic building blocks widely used in carbon-carbon and carbon-heteroatom bond forming reactions with various electrophiles. In the Barbier variant of the Grignard synthesis, the generation of air- and moisture-sensitive Grignard reagents occurs concurrently with their reaction with an electrophile. Although operationally simpler, the classic Barbier approach suffers from low yields due to multiple side reactions, limiting its application scope. Here, we report a mechanochemical adaptation of the Mg-mediated Barbier reaction, which overcomes these limitations and makes it suitable for the coupling of versatile organic halides (allylic, vinylic, aromatic, aliphatic) with diverse range of electrophilic substrates (aldehydes, ketones, esters, amides, O-benzoyl hydroxylamine, chlorosilane, borate ester) to assemble C–C, C–N, C–Si, and C–B bonds. In contrast to the classic two-step Grignard synthesis, the mechanochemical approach offers the advantages of being essentially solvent-free, single step and operationally simple, immune to air, and surprisingly tolerant to water and other proton donors. Mechanistic studies clarify the role of mechanochemistry in the process, indicating that the reaction predominantly proceeds via generation of transient organometallics, which occurs rapidly due to improved mass transfer and activation of the surface of magnesium metal
DFT studies of proton transfer of 2, 4-dihydroxybenzoic acid derivatives
Authors: Bridgmohan Chelsea , Wang Lichang
Published: April 2023

In this work, the proton transfer and photophysical properties of 2,4-dihydroxybenzoic acid and its chlorinated and brominated derivatives were studied using Density Functional Theory (DFT) to understand the proton transfer mechanism of these molecules as matrices in matrix-assisted laser desorption-ionization (MALDI). Structures, IR, UV-Vis, and fluorescence spectra were obtained together with the energies of frontier orbitals from DFT and time-dependent DFT calculations. In addition, the proton affinity (PA) and gas phase acidity (GPA) of the molecules were determined to understand the heavy atom substitution effect. Upon substitution of Cl and Br, the UV-Vis absorption at ~330 nm increases with heavy atom substitutions. While no apparent change in the OH bond strength at the ground state, it is substantially weakened upon electronic excitation at both the first singlet and triplet excited states under heavy atom substitution. These results demonstrate that both the UV-Vis absorption and intersystem crossing play important roles in facilitating proton transfer in heavy atom substitution of 2,4-dihydroxybenzoic acid.
Band Gap Tuning Through Cation and Halide Alloying in Mechanochemical Synthesized Cs3(Sb1-xBix)2Br9 and Cs3Sb2(I1-xBrx)9 Solid Solutions
Authors: Malavasi Lorenzo , Galinetto Pietro , Albini Benedetta , Giovilli Giulia , Moroni Marco , Mosconi Edoardo , De Angelis Filippo , Kaiser Waldemar , Grisci Virginia
Published: April 2023

Modulation of optical properties of lead-free defective perovskites can contribute to design optimized materials for several applications ranging from photodetection to photocatalysis. Here, we explored two novel alloying strategies on Cs3Sb2Br9, by preparing by mechanochemical synthesis Sb/Bi and Br/I mixed systems. An unexpected band gap bowing has been observed in alloyed Sb/Bi compositions, showing lower absorption edges with respect to pure compounds. Such behavior has been computationally modelled suggesting the presence of local aggregates as the source of such reduction of the band gap. Further modulation of the optical properties has been achieved by halide alloying showing a progressive red-shift by increasing the iodide content. In both cases a full solubility at the solid state has been determined by means of diffraction and Raman spectroscopy. Overall, this study proposes and rationalizes doping strategies in the Cs3Sb2Br9 defective perovskite achieved through the use of a sustainable synthetic procedure such as mechanochemistry.
High-Spin Blatter’s Triradicals
Authors: Khurana Rishu , Bajaj Ashima , Shamasundar K.R. , Ali Md. Ehesan
Published: April 2023

Robust organic triradicals with high-spin quartet ground-state provide promising applications in molecular magnets, spintronics, etc. In this context, a triradical based on Blatter’s radical has been synthesized recently possessing two doublet-quartet energy gaps with 70% occupation of quartet ground state at room temperature. The traditional broken-symmetry (BS)-DFT computed energy gaps are reported to be somewhat overestimated in comparison to the experimentally observed values. In this work, we have employed different ab initio methods on this prototypical system to obtain more accurate doublet-quartet energy gaps for this triradical. The spin constraint broken symmetry (CBS)-DFT method has been used to reduce the overestimation of energy gaps from BS-DFT. To address the issues of spin-contamination and multi-reference nature of low-spin states affecting the DFT methods, we have computed the energy gaps using appropriately state-averaged CASSCF and NEVPT2 computations. Using a series of active spaces, our calculations are shown to provide quite accurate values in concordance with the experimentally observed results. Further, we have proposed and modeled another three triradicals based on Blatter’s radical which are of interest for experimental synthesis and characterization. Our computations show that all these triradicals also have quartet ground state with similar energy difference between the excited doublet states.
Activation of N–O σ Bonds with Transition Metals: a Versatile Platform for Organic Synthesis and C–N Bonds Formation
Authors: Todorovic Uros , Romero R. Martin , Anthore-Dalion Lucile
Published: April 2023

N–O σ bonds containing compounds are versatile substrates for organic synthesis in presence of transition metal catalysis. Their ability to react through both ionic (oxidative addition, formation of metallanitrene, nucleophilic substitution) and radical pathways (single electron transfer, homolytic bond scission) have triggered the development of a large scope of synthetic methodologies, in particular towards the synthesis of nitrogen containing compounds. In this review, we discuss the different mode of activation of N–O bonds in presence of transition metal catalysts, emphasizing the experimental and computational mechanistic proofs in the literature to help designing new synthetic pathways.
Fluorosulfide La2+xSr1−xF4+xS2 with Triple-fluorite Layer Enabling Interstitial Fluoride-ion Conduction
Authors: Tachibana Shintaro , Zhong Chengchao , Ide Kazuto , Yamasaki Hisatsugu , Tojigamori Takeshi , Miki Hidenori , Saito Takashi , Kamiyama Takashi , Shimoda Keiji , Orikasa Yuki
Published: April 2023

Fluoride-ion conducting solid materials are applicable as solid electrolytes for sensing devices and next generation rechargeable batteries. Most of the previously reported materials have limited to the single-anion compounds such as fluorite-type, tysonite-type, and perovskite-type structures. These are suffered from further improvements by crystal structure modification which derives a paradigm shift in the material tailoring. Fluoride and sulfide ions prefer respective coordination environments because of the different ionic radii and electronegativity. This feature implies that fluorosulfide mixed-anion compounds have potential to form anion-ordering crystal structures with new fluoride-ion conducting layers. Herein, we have found that the fluorosulfide La2+xSr1−xF4+xS2 exhibits fluoride ion conduction. The presence of multiple anions results in the formation of anion-ordering two-dimensional crystal lattice with triple fluorite layers, which cannot be realized for metal fluorides. Sulfide ions in the crystal structure increases the number of interstitial sites of fluoride ions, forming fluoride ion conduction pathway.
Finding Molecular Structure in Molecular Wavefunctions
Authors: Lang Lucas , Cezar Henrique Musseli , Adamowicz Ludwik , Pedersen Thomas Bondo
Published: April 2023

Molecular structure, one of the most central concepts of chemistry, has remained elusive from the perspective of all-particle quantum mechanics despite many efforts. Here, we propose a new definition of molecular structure applicable to arbitrary all-particle wavefunctions and implement a practical method based on Markov Chain Monte Carlo sampling and unsupervised machine learning. Application to the D3+ molecule shows unambiguously that it possesses an equilateral triangular structure. These results provide a major step forward in our understanding of molecular structure from fundamental physical principles.
Understanding and Control of Zener Pinning via Phase Field and Ensemble Learning
Authors: Manna Sukriti , Chan Henry , Ghosh Avishek , Chakraborti Tamoghna , Sankaranarayanan Subramanian
Published: April 2023

Zener pinning refers to the dispersion of fine particles which influences grain size distribution \textit{via} movement of grain boundaries in a polycrystalline material. Grain size distribution in polycrystals has a significant impact on their properties including physical, chemical, mechanical, and optical to name a few. We explore the use of Phase-field modeling and machine-learning techniques to understand and improve the control of grain size distribution \textit{via} Zener pinning in polycrystalline materials. We develop a machine learning model that determines the relative importance of various parameters to exercise microstructure control \textit{via} Zener pinning. Our workflow combines high-throughput phase-field simulations and machine learning to address the computational bottlenecks associated with large-scale simulations as well as identify features necessary for microstructure control in polycrystals. A random forest (RF) regression model was developed to predict grain sizes based on five Phase-field model parameters, achieving an average prediction error of 0.72 nm for the training data and 1.44 nm for the test data. The importance of the input parameters is analyzed using the SHapley Additive exPlanations (SHAP) approach which reveals that diffusivity, volume fraction, and particle diameter are the most important parameters in determining the final grain size. These findings will allow us to select the best second-phase particles, optimize grain size distributions and thus design microstructures with the desired properties.
The use of interactive video embedded infographics in EFL writing courses with flipped classroom learning environme
Authors: Emrah Dolgunsöz , Gurkan Yıldırım
Published: April 2023

Learning to write in English as a Foreign Language (EFL) has always been an issue for most learners since it requires intensive cognitive activity along with language proficiency. This mixed-methods study aimed to examine if interactive Video Embedded Infographics (VEI) could ease this process in a flipped classroom setting compared to traditional infographics. Twenty-four EFL learners equally divided into two groups as traditional infographics group and the video embedded infographics group participating in a 3-week intensive EFL writing training. Quantitative data was obtained through quizzes, a final exam, and a delayed exam, while semi-structured interviews were implemented to obtain qualitative data. Quantitative results showed no significant difference between groups in terms of test performance, indicating satisfactory scores for both groups. Qualitative findings revealed a positive tendency towards video embedded infographics, most learners found them concise, easy to use, and more compact. Participants also showed positive attitudes towards EFL writing courses in a flipped classroom setting, stating that they found it more practical, stress-free, and efficient compared to traditional EFL writing classrooms.
Tecnología: mucho más que aparatos
Authors: Hugo Diana Victória Victória , Olea Patricia , Olavegogeasoechea Mara , Mariel Farias Nanci , Ávila Silvia
Published: April 2023

Esta ponencia muestra una unidad didáctica diseñada dentro del Proyecto Iberoamericano sobre la Naturaleza de la Ciencia y la Tecnología (EANCYT) EDU2010-16553 financiado por Plan Nacional de I+D del Ministerio de Ciencia e Innovación (España). Busca promover en estudiantes la complejización de esas creencias reduccionistas respecto a la Tecnología detectadas en el anterior Proyecto Iberoamericano de Evaluación de Actitudes Relacionadas con la Ciencia, la Tecnología y la Sociedad (PIEARCTS). Las actividades parten de una situación problemática contextuada que resuelven en grupo a través de la creación de un objeto tecnológico. La finalidad última es llevarlos a reflexionar sobre la tarea confrontando la propia definición inicial de Tecnología con tres tópicos/creencias dados del sentido común sobre la misma, a fin de rectificarla y ampliarla tomando conciencia de su visión también humanística y de esa interacción dialéctica que establece con la Ciencia. Se evaluará el impacto de tal unidad didáctica a través de la aplicación de un pre y post test a dos muestras de alumnos de 12 y 15 años de un grupo experimental y de otro control, usando como instrumento cuestiones del cuestionario estandarizado de opiniones sobre ciencia, tecnología y sociedad (COCTS).
O trabalho com derivadas no Ensino Médio através da Resolução de Problemas: aspectos da avaliação
Authors: Pagani Érica Marlúcia Leite , Allevato Norma Suely Gomes
Published: April 2023

Este trabalho é um recorte de uma tese de doutorado em que se investiga o ensino e a aprendizagem de derivadas no contexto da Resolução de Problemas. Foi realizada no 2º ano do Ensino Médio integrado ao técnico, numa turma do curso de Eletrônica. A pesquisa é qualitativa e foi desenvolvida por meio da observação participante e análise documental. Assumimos a concepção de resolução de problemas como um ponto de partida para ensinar Matemática, entendida como um meio de se construir novos conhecimentos a partir de anteriores e ao longo do processo de resolução de um ou mais problemas. Considerada, desse modo, como uma metodologia de ensino, é uma perspectiva que está apoiada na tríade ensino-aprendizagem-avaliação e que, portanto, considera a avaliação um processo intrínseco ao processo de ensino-aprendizagem. Apresentamos e discutimos um episódio que evidencia como essa metodologia permite ao professor e ao aluno perceberem, de forma mais clara, dificuldades no aprendizado dos conteúdos, e como favorece a tomada de decisões e mudanças de estratégias no ensino.
Features of Self-regulated Learning of Male and Female Students
Authors:   Kazan (Volga Region) Federal University, Kazan, Russia, Kalatskaya Natalya , Prokhorov Alexander ,   Kazan (Volga Region) Federal University, Kazan, Russia, Yusupov Mark ,   Kazan (Volga Region) Federal University, Kazan, Russia
Published: April 2023

The effectiveness of activity depends on the ability to achieve the set goals, to realize personal potential, and to maintain a high level of motivation. The research relevance is determined by the differential psychological features of self-regulated learning, in particular the gender characteristics of this process. The paper aims to identify the gender characteristics of self-regulated learning among the students of mathematical specialties. We have put forward a hypothesis that male and female students differ in the degree of self-regulating behavior. Seventy-nine students majoring in mathematics (38 male and 41 female students) took part in the research. The different questionnaires were used to obtain the data. The findings revealed that the female students with a high level of self-regulation demonstrate the abilities specific to self-regulation, i.e. flexibility, programming, evaluation of results, planning and modeling. The young men with a high level of self-regulation demonstrate such abilities as evaluation of results, modeling, and planning. The participants differed significantly on the scale of self-esteem motivation. The girls scored higher than boys. The students of both genders had average scores for the indicators of individual components of self-attitude, as well as the “behavior” indicator. The reliability of differences in the diagnosed indicators was not detected. It is shown that the core components of self-regulated learning for girls include: planning, modeling, a general level of self-regulation, and self-confidence. For boys, planning, modeling, flexibility, a general level of self-regulation, self-confidence, self-worth, self-attachment and behavior. The obtained results will help to differentiate the training of male and female students majoring in mathematics, taking into account the components of self-regulated learning.
Determination of the dynamic parameters of Speswhite kaolin with resonant column and centrifuge tests
Authors: Fernandes Filipe , Moura Bárbara , Almeida Marcio , Souza Junior Luciano , Tarazona Samuel , Almeida Maria , Barros José
Published: April 2023

Understanding the dynamic behavior of soils is essential to the study of the influence of seismic loads on the instability of submarine slopes, an important issue in Brazil and other countries. The shear modulus and the damping ratio are two fundamental parameters for the study of this behavior. Determining these parameters for Speswhite kaolin clay is the object of the present study using resonant column tests and dynamic centrifuge tests with accelerometers and pairs of bender elements. The curves obtained in the laboratory are compared with empirical curves and comparable data in the literature. Good agreement was observed between experimental data and the empirical prediction for the degradation curve of the normalized shear modulus. The damping curve for very low strains, obtained with resonant column tests, was consistent with the empirical curve. However, consistent with a trend observed in the literature, the centrifuge test results presented considerable scatter (dispersion), attributable to the difficulty in modelling damping dissipation mechanisms in the centrifuge.
A naive picture of the world and a biosemantic approach to describing the lexical structure of a word
Authors: Pesina Svetlana A. , Pulekha Irina R. , Vinogradova Svetlana A. , Trofimova Nella A. , Shustova Svetlana V. , Vtorushina Yuliana L. , Velikanova Svetlana S.
Published: April 2023

The problems of studying the lexical structure of a word have a way out into various areas of cognitive science, including biosemiotics. In the article, the biosemiotic approach is reframed into a biosemantic approach based on decoding specific lexical structures. The lexical invariants of polysemous words are shown to be meaningful cores of their figurative meanings. It is a set of dominant semantic components that are stably associated with each lexeme’s meaning. In the process of semiosis, the individual is guided by these invariant components. These components are formed over time in the individual's cognitive niche as a result of observations of the relationship between language signs. The practical part of the article includes an empirical invariant-component analysis of the English polysemous substantive “a hood” from the standpoint of invariant semantics. Given the results, biosemiotics has an advantage over traditional semantics in describing the semantics of lexical units.
Familial Frictions: Intersectional Inequalities Faced by Romani Queer Women
Authors: Al-Kurdi Ahmad
Published: April 2023

This article reviews the growing but still scarce scholarly work on queer Romani women in Eastern and Central Europe to highlight how economic and symbolic inequalities are inseparably intertwined and mutually strengthen each other in the case of this group. The review finds that cultural and symbolic injustices dominate the analysis of the situation of queer Romani women; economic deprivation is often mentioned when providing an overview of the situation of Romani people but is hardly ever brought up when the specific experiences of queer Romani people are discussed. The article zooms in on one area where the interplay between economic and symbolic inequality is pronounced: the central role of familism in the lives of Romani communities, and the detrimental impact it has on the situation of queer Romani women. The article also proposes a set of other mechanisms undermining the equality and well-being of queer Romani women where economic and symbolic inequalities are similarly intertwined.