bluuebunny/crossref_metadata_2025 huggingface dataset:
Philosophy of Education as Self-Moulding Experience
Authors: Королькова Анна Александровна
Published: November 2022

В статье рассматривается роль философии в современном образовании, в котором важное значение придается необходимости развития у обучающихся общегуманитарных компетенций, связанных с формированием мировоззренческих позиций и ценностей. Образовательная ценность философии раскрывается через сравнительный анализ идей римского стоика Эпиктета и современного французского мыслителя Мишеля Фуко о смысле и назначении философии жизни человека как заботы о самом себе.

We consider the role of philosophy in modern education paying special attention to the need to develop in students general humanitarian competencies connected with the formation of ideological positions and values. The educational value of philosophy is revealed by comparing the ideas of the Roman stoic Epictetus and the modern French thinker Michel Foucault concerning the sense and the role of life philosophy as man’s self-care.
Stages of Organization Strategy Development
Authors: Щербаков Егор Игоревич
Published: November 2022

На основе базовых положений стратегического менеджмента автор обосновывает идею о том, что процесс разработки стратегии развития индивидуален для каждой организации и зависит от влияния внешней и внутренней среды. В статье рассмотрены этапы формирования стратегии организации, описаны ее составляющие, обозначено влияние внешней и внутренней среды на процессы формирования стратегии.

Following the basics of strategic management, we prove the idea that the process of strategy development is specific for every organization and depends on external and internal environment. We consider the stages of strategy development and describe its components as well as the influence of external and internal environment on the process in question.
Practice of Social Protection of Elderly People: Experience of National Project “Older Generation”
Authors: Осипова Наталья Ивановна
Published: November 2022

В статье рассмотрены вопросы реализации национального проекта «Старшее поколение» в Ленинградской области в 2019 году. Описаны мероприятия по совершенствованию работы в части социальной защиты пожилого населения региона. Предложены пути дальнейшей трансформации отрасли.

We consider the implementation of the national project “Older Generation” in Leningrad region in 2019. We describe the measures aimed at improving social protection of elderly people in the region. Ways of further transformation of the sphere in question are suggested.
First Track on the Moon. From History of Creating Lunar Self-Propelling Landing Gear
Authors: Охочинский Михаил Никитич
Published: November 2022

В статье рассматривается история создания первого в мире лунного самоходного шасси, работавшего на поверхности естественного спутника Земли в составе автоматического дистанционно управляемого аппарата «Луноход-1». Показана роль Научно-исследовательского института транспортного машиностроения (ВНИИТМ) и Научно-производственного объединения имени С. А. Лавочкина (НПОЛ) в разработке космических аппаратов, впервые реализовавших новую технологию дистанционного контактного исследования планет Солнечной системы с помощью космических роботизированных комплексов.

We look at the history of making the first lunar self-propelling landing gear that worked on the surface of the Earth satellite as a part of the automated remotely controlled spacecraft Lunokhod-1. We demonstrate the role of Mobile Vehicle Engineering Institute and Lavochkin Research and Production Association in designing spacecraft that was a pioneer in implementing the new technology of distance contact study of the planets belonging to the Solar system using space robotized complexes.
Implementation of State Programs as Factor of Social and Economic Development of St. Petersburg
Authors: Коршунов Илья Владимирович
Published: November 2022

В статье рассмотрены стратегические направления социально-экономической политики г. Санкт-Петербурга, реализуемые в городе государственные программы и их финансирование, распределение бюджетных средств по программно-целевым направлениям в Санкт-Петербурге, структура расходов бюджета Санкт-Петербурга в 2020 году по целевым направлениям города.

We look at strategic directions of socio-economic policy of St. Petersburg, the state programs implemented by the city and their funding, the distribution of budgetary funds in accordance with program-target areas in St. Petersburg and the structure of St. Petersburg budget expenditure in 2020 by target directions of the city.
Factors Influencing Development of Sports and Fitness Services in Districts (by the example of Moskovskiy district of St. Petersburg)
Authors: Заборовская О.В. , Александрова В.А.
Published: November 2022

В статье анализируются факторы, влияющие на рынок спортивнооздоровительных услуг с учётом региональной специфики. Особое внимание уделено влиянию негативных аспектов внешней среды, связанных с падением платежеспособного спроса. Подробно рассмотрена внешняя среда функционирования спортивнооздоровительных клубов в Московском районе Санкт-Петербурга. Произведено сравнение деятельности спортивного клуба ООО «Волна» с основными конкурентами в регионе.

We analyze factors influencing the market of sports and fitness services taking into account district's specific features. Special attention is paid to negative aspects of external environment connected with the decrease of solvent demand. We make a detailed research of the environment of fitness clubs working in Moskovskiy district of St. Petersburg. The performance of the club Volna is compared with the main competitors in the district in question.
Dominant Activity of EEG Sigma-Band During Acute Observed Normobaric Hypoxia in Humans
Authors: Бурых Эдуард Анатольевич
Published: November 2022

Рассмотрена динамика спектральной мощности ЭЭГ в основных частотных диапазонах у человека при воздействии острой нормобарической гипоксии (9% О в азоте) в течение 40 мин. Показано, что при гипоксии в передних и центральных зонах коры головного мозга увеличивается индекс доминирования активности сигма-диапазона (13-16 Гц) - диапазона сонных веретен. Высказано предположение об общности механизмов регуляции функционального состояния головного мозга во сне и при гипоксии.

We look at EEG spectral power dynamics of basic frequency bands under acute normobaric hypoxia (9% O in nitrogen) during 40 min in humans. We demonstrate that the index of dominance of sigma-band activity (13-16 Hz) known as band of sleep spindles increases under hypoxia in the front and central parts of the cerebral cortex. We assume that there are common mechanisms of brain functional state regulation under sleep and hypoxia.
Division of Customs Authorities on Functional Basis as Innovative Approach to Customs Management
Authors: Гокинаева Ирина Александровна , Кириллова Дарья Аркадьевна
Published: November 2022

Рассмотрены задачи, которые стоят перед таможенными органами в контексте Стратегии развития таможенной службы РФ. Исследуются инновационные характеристики управления таможенными органами в условиях сложившейся новой структуры таможенных органов Российской Федерации.

We look at tasks facing the Customs bodies in the context of the Strategy of Development Customs Service in the Russian Federation. We research innovative characteristics of managing the Customs bodies of the Russian Federation under the new structure.
Characteristics of Distance Staff Recruitment under COVID-19
Authors: Паршуков Алексей Евгеньевич
Published: November 2022

Современная ситуация в мире на фоне пандемии подчеркнула не только важность, но и достаточную сформированность таких тенденций, как удалённые технологии взаимодействия людей, удалённая работа с персоналом, гибкие формы организации труда, высокая степень цифровизации. В статье рассмотрены вопросы работы с персоналом с учетом особенностей удалённого подбора и найма, которые зависят отчасти от места постоянной работы HR-специалиста и будущего места работы нанимаемого работника. Кроме отрицательных моментов, связанных с дефицитом эмоционального взаимодействия, автор отмечает и положительные особенности, например, экономию времени и средств на встречи соискателя и специалиста, отсутствие прямой привязанности к графику работы, возможность работать за пределами своей географической зоны.

Current global situation aggravated by the pandemic emphasized not only the importance but also the evidence of such trends as telecommunications, teleworking, flexible forms of work organization, high degree of digitalization. We look at ways of working with personnel taking into consideration issues of distance selection and recruitment partly dependent on the location of the HR-specialist and the future working place of an applicant. Along with disadvantages resulting from the lack of emotional interaction, we note certain advantages such as saving applicants' time and money when meeting HR specialists, flexible schedule and possibility to work outside your region.
PROSPECTS OF DEVELOPMENT OF MARINE ROBOTIC COMPLEXES OF NATO MEMBER STATES
Authors: Бородавкин Вячеслав Александрович , Никулин Евгений Николаевич , Красильников Роман Валентинович
Published: November 2022

Статья посвящена исследованию развития морских робототехнических комплексов (МРТК) военного назначения, разрабатываемых в странах НАТО. Приведены результаты проведенного авторами анализа основных маркеров, характеризующих развитие морских робототехнических комплексов, на примере одного из явных лидеров данной отрасли - США. Также рассмотрены вопросы об уровне и динамике финансирования разработок разнотипных робототехнических средств. Повышенное внимание к их развитию связано с необходимостью борьбы с беспилотными летательными аппаратами.

The research is devoted to the development of military marine robotic complexes designed in NATO member states. We present the analysis of the key markers characterizing the development of marine robotic complexes by the example of the USA as one of the leaders of the industry in question. We also look at issues of the level and dynamics of funding the development of various robotic tools. Special attention to their development is due to the need to fight against drones.
Impact of Technogenic Pollution Factors on Health of European North Residents
Authors: Логинова Т.П. , Юшков С.А. , Бойко Е.Р.
Published: November 2022

В условиях Севера на организм человека воздействует комплекс экстремальных природно-климатических факторов, что вызывает перестройку обменных процессов и сказывается на состоянии функциональных систем. Промышленные объекты в Арктике оказывают зачастую серьезное техногенное воздействие на хрупкую среду обитания, что отражается на процессах жизнедеятельности организма человека. В исследовании показано, что влияние техногенных факторов на организм человека и его психоэмоциональную сферу модулируется этническими особенностями и широтой проживания северян.

In the conditions of the North, the human body is affected by a complex of extreme natural and climate factors, which results inchanges in metabolic processes and affects the state of functional systems. Industrial facilities in the Arctic often have a serious man-made impact on the fragile environment, which affects the processes in human body. We demonstrate that the influence of technogenic factors on the human body and psycho-emotional sphere is modulated by ethnic characteristics and the latitude of residents' location.
Analysis of Properties of Solutions of Multi-Criteria Model of Operating Relations of Territorial Formations of Urban Agglomeration
Authors: Ляпунова Галина Платоновна
Published: November 2022

Задачей проводимого исследования является анализ и интерпретация свойств математической модели распределения городских функций между территориальными образованиями городской агломерации. В модели используется информация об имеющейся и желаемой функциональной обеспеченности территориальных образований и их инвестиционной привлекательности. Процесс моделирования ориентирован на создание такого распределения функций между территориальными образованиями, при котором максимизируется суммарный экономический эффект. В статье приведены и рассмотрены на содержательном уровне допущения, сделанные автором при построении модели, обоснован выбор метода нахождения оптимального решения, рассмотрены условия его существования на формализованном и содержательном уровнях.

The research is aimed at analysing and interpreting the properties of the mathematical model of the distribution of urban functions between territorial formations of an urban agglomeration. The model relies on the information about the existing and desired functional security of territorial entities and their investment attractiveness. The modelling process is focused on creating such a distribution of functions between territorial entities that secure maximum economic effect. We present and consider at the content level our own assumptions made when constructing the model, and substantiate the choice of the method for finding an optimal solution; its conditions at formalized and content levels are looked at.
ROLE OF DISCIPLINE “FOREIGN LANGUAGE” IN DEVELOPING FOUNDATIONS OF PROFESSIONAL IDENTITY IN STUDENTS OF NON-LINGUISTIC UNIVERSITY
Authors: Налиткина Ольга Викторовна
Published: November 2022

Статья посвящена явлению профессиональной идентичности и проблеме развития ее основ в процессе получения высшего профессионального образования. Рассматривается понятие профессиональной идентичности и взгляды на механизмы и источники ее формирования. Поскольку профессиональное образование является одним из основных источников формирования искомой идентичности, мы полагаем, что данная проблема нуждается в комплексном решении, и процесс развития основ профессиональной идентичности требует создания специальных педагогических условий в современном вузе. Предлагается обратить внимание на дидактический потенциал дисциплины «Иностранный язык» в целях решения данной проблемы.

The research is devoted to professional identity and the problem of developing its foundations while getting higher professional education. We consider the concept of professional identity as well as views concerning the mechanisms and sources of its formation. As professional education is seen as one of the main sources of forming the identity in question, we believe that the problem needs a complex approach and the development of the foundations of professional identity requires special pedagogic conditions in modern institutions of higher education. We suggest paying attention to the didactic potential of teaching foreign languages to solve the problem.
HYDRODYNAMICS OF INTENSIVE PROCESSES. SHOCK WAVE PROBLEM
Authors: Маламанов Степан Юрьевич , Скворцов Генрих Евгеньевич
Published: November 2022

В статье рассмотрена задача о структуре стационарной плоской ударной волны. Общая гидродинамика указывает принципиальную возможность замкнутого макроскопического описания процессов широкого диапазона неравновесности. Положительно решен вопрос о принципиальной замыкаемости уравнений сохранения при любой степени неравновесности. Показана возможность решения задачи о структуре ударной волны в полном диапазоне интенсивности и для всего поля течения.

We look at the problem of the structure of a plane stationary shock wave. General hydrodynamics indicates the fundamental possibility of a closed macroscopic description of processes of a wide range of nonequilibrium. The question of the fundamental closability of the conservation equations at any degree of nonequilibrium has been positively resolved. The possibility of solving the problem of the shock wave structure in the full intensity range and for the entire flow field is shown.
Formation of Cognitive Interest to Nature Protection Projects in School Students Based on Using Sketchbook “Ecotradition”
Authors: Лавлинская Ольга Валерьевна
Published: November 2022

В данной статье раскрывается потенциал применения авторской методики во внеурочной деятельности учащихся, с применением скетчбука «Экотрадиция». Автор акцентирует внимание на способах развития мотивации обучающихся, влияющих на формирование заинтересованности к природоохранным проектам. Цель предложенной автором методики - сделать учебный процесс более индивидуальным, увлекательным и интересным через привлечение внимания к изучению экологически ориентированных проектов, а также выявить детей с новаторскими способностями.

We reveal the potential of applying author's method of using the sketchbook "Ecotradition" in extracurricular activity of students. We emphasize ways of motivation development affecting the formation of interest in nature protection projects. The suggested method is aimed at making the learning process more individualized, involving and appealing by attracting attention to the study of environmental projects as well as at spotting children who possess abilities to innovate.
Reliability of Small Arms Cartridges
Authors: Затеруха Е.В.
Published: November 2022

В статье рассмотрены основные виды отказов гильз при их функционировании. Проанализирована связь технологии изготовления гильзы и безотказности патрона при стрельбе.

We consider the main types of shell casing failures during their operation. The connection of cartridge case manufacturing technology and cartridge reliability in firing is analyzed.
Praxiological-Procedural Approach to Interpretation of Economic Parameters Correlation
Authors: Курочкин Алексей Викторович
Published: November 2022

В статье рассматривается и критикуется праксиологический подход в экономике австрийской экономической школы: что можно взять полезного из исследования целей и как его применить к исследованию и выявлению экономических законов, что австрийская школа считала невозможным. На примере исследования регрессий изучаются праксиологический подход и принцип партикуляризма. Критикуются посткейнсианский и неоклассический подходы к рынку труда.

We consider and criticize the praxeological approach to economy developed by the Austrian school. We consider the benefits of goals analysis and how it can be applied for examining and discovering economic laws, which the Austrian school deemed to be impossible. The praxeological approach and the principle of particularism are applied for studying regressions. The postKeynesian and neoclassical approaches to the labor market are criticized.
Differentiation Strategy as Tool of Increasing Business Competitiveness
Authors: Шепурева Екатерина Андреевна
Published: November 2022

В статье рассмотрены теоретические основы формирования стратегий повышения конкурентоспособности организации. Предложена методика практического применения стратегии дифференциации бизнеса для развития предприятия типа ИП («индивидуальный предприниматель») в сфере оптовой торговли.

We look at theoretical grounds for creating strategies of increasing business competitiveness. We suggest applying the strategy of business differentiation to develop individual business in wholesale.
Development of Entrepreneurial Approach in Professional Training as Necessary Condition for Achieving National Goals in Economy
Authors: Иванов Сергей Анатольевич
Published: November 2022

В статье рассматриваются проблемы развития предпринимательства в контексте реализации национальных целей Российской Федерации. На примере Санкт-Петербурга приведена динамика количества субъектов малого и среднего бизнеса, включая индивидуальных предпринимателей. Обосновывается необходимость развития предпринимательского подхода в системе профессионального образования, приводятся рекомендации по внедрению предпринимательского подхода.

We look at the problems of entrepreneurship development in the context of achieving the national goals of the Russian Federation. The dynamics of the number of small and medium-sized businesses including sole traders is shown by the example of St. Petersburg. We substantiate the need to develop an entrepreneurial approach in the professional education system and offer guidelines concerning the introduction of the approach in question.
Formation of Motivational-Axiological and Competence Components of Professional Identity in Future Lawyers within Foreign Language Course
Authors: Налиткина О.В.
Published: November 2022

На основе анализа государственного образовательного стандарта и требований рынка труда обосновывается необходимость формирования основ профессиональной идентичности юристов в высшей школе. Рассматривается потенциал дисциплины «Иностранный язык» с позиции развития у студентов мотивационно-ценностного и компетентностного компонентов профессиональной идентичности.

Having analyzed the State Standard of Higher Education and the labor market requirements, we substantiate the need to form the foundations of professional identity in Higher school students of Law. We look at the potential of foreign languages from the point of view of developing in students the motivational-axiological and competence components of professional identity.
Assessment of Possibility of Using Additive Technologies in Rocket and Space Technology Products Manufacturing
Authors: Сятчихин А.А. , Смирнов А.И.
Published: November 2022

Исследуются современные методы производства на основе аддитивных технологий, оценка физико-механических свойств изделий, получаемых при таком производстве. Рассмотрены особенности напряженно-деформированного состояния полученных образцов, и проведена оценка изменения прочности относительно базовых физико-механических свойств материала.

We consider modern production methods based on additive technologies, the evaluation of the physical and mechanical properties of products obtained during the production in question. The features of the stress-strain state of the obtained samples are considered, an assessment of the change in strength relative to the basic physical and mechanical properties of the material is carried out.
ROCKET TECHNOLOGY OF PETER THE GREAT ERA
Authors: Бородавкин Вячеслав Александрович , Охочинский Михаил Никитич
Published: November 2022

В статье рассматриваются вопросы разработки и применения ракетных систем в Петровскую эпоху. Показано, что развитие ракетной техники в России того времени самым непосредственным образом связано с именем российского императора-реформатора и его взглядами на развитие вооружения и военной техники.

We look at the development and application of missile systems during Peter the Great’s reign. We show that the development of rocket technology in Russia during the period in question is directly connected with the name of the Russian emperor-reformer and his views on the development of weapons and military equipment
Application of Big Data Analysis Technologies for Unstructured Information in Civil Aviation in the context of Human Factor
Authors: Костин Геннадий Александрович , Овсяник Дмитрий Игоревич , Самойлов Владимир Александрович
Published: November 2022

Гражданская авиация является той сферой человеческой деятельности, в которой могут эффективно применяться системы анализа больших данных (САБД). В статье определены области авиации, использующие инфраструктуру анализа больших массивов данных для улучшения эксплуатационных характеристик, повышения безопасности полетов, а также освещены вопросы, связанные с влиянием человеческого фактора, опирающиеся на САБД. Рассмотрены инструменты применения САБД и научные подходы к их реализации. Предметом исследования является аспект использования больших данных в авиации для минимизации уровня влияния человеческого фактора с целью повышения уровня безопасности и эффективности в авиации.

Civil aviation is the sphere of human activity in which big data analysis systems can be effectively applied. We define the areas of aviation that use the infrastructure of big data analysis to improve operational characteristics and flight safety. We also consider the issues of the human factor influence based on the systems of big data analysis. We consider the tools of applying the systems of big data analysis as well as the approaches to their use. The subject of the study is the aspect of using big data in aviation to minimize the level of human influence in order to increase the level of safety and efficiency in aviation.
METHODOLOGY FOR SELECTING RATIONAL COMPUTER NETWORK TOPOLOGY
Authors: Костин Геннадий Александрович , Панин Сергей Николаевич
Published: November 2022

В статье рассматриваются особенности методики выбора рациональной топологии компьютерной сети. Приведен пример использования разработанной методики при обосновании варианта реализации компьютерной сети.

We consider the methodology for choosing a rational topology of a computer network. We give an example of using our own methodology when substantiating a computer network implementation.
Predictive stochastic analysis of massive filter-based electrochemical reaction networks
Authors: Barter Daniel , Spotte-Smith Evan Walter Clark , Redkar Nikita S. , Khanwale Aniruddh , Dwaraknath Shyam , Persson Kristin A. , Blau Samuel M.
Published: November 2022

Chemical reaction networks (CRNs) are powerful tools for obtaining insight into complex reactive processes. However, they are difficult to employ in domains such as electrochemistry where reaction mechanisms and outcomes are not well understood. To overcome these limitations, we report new methods to assist in CRN construction and analysis. Beginning with a known set of potentially relevant species, we enumerate and then filter all stoichiometrically valid reactions, constructing CRNs without reaction templates. By applying efficient stochastic algorithms, we can then interrogate CRNs to predict network products and reveal reaction pathways to species of interest. We apply this methodology to study solid-electrolyte interphase (SEI) formation in Li-ion batteries, automatically recovering products from the literature and predicting previously unknown species. We validate these results by combining CRN-predicted pathways with first-principles mechanistic analysis, discovering novel mechanisms which could realistically contribute to SEI formation. This methodology enables the exploration of vast chemical spaces, with the potential for applications throughout electrochemistry.
Induction-heated ball-milling: a promising asset for mechanochemical reactions
Authors: Félix Gautier , Fabrègue Nicolas , Leroy César , Métro Thomas-Xavier , Chen Chia-Hsin , Laurencin Danielle
Published: November 2022

While ball-milling is becoming one of the common tools used by synthetic chemists, an increasing number of studies highlight that it is possible to further expand the nature and number of products which can be synthesized, by heating the reaction media during mechanochemical reactions. Hence, developing set-ups enabling to combine heating and milling is an important target, which has been looked into in both academic and industrial laboratories. Here, we report a new approach for heating up reaction media during ball-milling reactions, using induction heating (referred to as i-BM). Our set-up is highly attractive not only because it enables a very fast heating of the milling medium (reaching ≈80 °C in just 15 s), and that it is directly adaptable to commercially-available milling equipment, but also because it enables heating either the walls of the milling jars or the beads themselves, depending on the choice of the materials which compose them. Importantly, the possibility to heat a milling medium “from the inside” (when using for example a PMMA jar and stainless steel beads) is a unique feature compared to previously proposed systems. Through extensive numerical simulations, we then show that it is possible to finely tune the properties of this heating system (e.g. heating rate and maximum temperature reached), by playing with the characteristics of the milling system and/or the induction heating conditions used. Lastly, examples of applications of i-BM are given, showing how it can be used to help elucidate reaction mechanisms in ball-milling, to synthesize new molecules, and to control the physical nature of milling media.
Generality-Oriented Optimization of Enantioselective Aminoxyl Radical Catalysis
Authors: Rein Jonas , Rozema Soren , Langner Olivia , Bruno Samson , Hardy Melissa , Siu Juno , Mercado Brandon , Sigman Matthew , Miller Scott , Lin Song
Published: November 2022

Catalytic enantioselective methods that are general over a broad range of substrates facilitate application in synthetic discovery and development settings; however, truly general catalysts for asymmetric synthesis are rare. Herein, we report a strategy for the oxidative desymmetrization of meso-1,4 diols predicated on a non-traditional optimization protocol utilizing a panel of screening substrates rather than a singular model substrate. Critical to this approach was rational modulation of a peptide sequence incorporating a novel, aminoxyl-based catalytic residue. A general catalyst emerged, providing high selectivity in delivery of enantioenriched lactones across a broad range of diols.
Copper-Catalyzed Decarboxylative Elimination of Carboxylic Acids to Alkenes
Authors: Stanton Michael , Hoover Jessica
Published: November 2022

A copper-catalyzed decarboxylative elimination reaction of (hetero)aromatic propionic acids to vinyl (hetero)arenes has been developed. This method furnishes alkenes from carboxylic acids without the need for stochiometric Pb or Ag additives or expensive or specialized photocatalysts. A series of mechanistic experiments indicate that the reaction proceeds via benzylic deprotonation and subsequent radical decarboxylation; a pathway that is distinct from the single-electron-transfer mechanisms implicated in related decarboxylative elimination reactions.
Feature selection in molecular graph neural networks based on quantum chemical approaches
Authors: Yokogawa Daisuke , Suda Kayo
Published: November 2022

Feature selection is an important topic that has been widely studied in data science. Recently, graph neural networks (GNNs) and graph convolutional networks (GCNs) have also been employed in chemistry. To enhance the performance characteristics of the GNN and GCN in the field of chemistry, the feature selection should also be discussed in detail from the chemistry viewpoint. Thus, this study proposes a new feature in molecular GNNs based on the quantum chemical approaches and discusses the accuracy, overcorrelation between features, and interpretability. From the overcorrelation and accuracy, the important graph convolution (IGC) with molecular-atomic properties (MAP) proposed herein showed good performance. Moreover, the integrated gradients analysis showed that the machine learning model with the IGC(MAP) explained the prediction outputs reasonably.
Porphene and Porphite: Porphyrin Analogs of Graphene and Graphite
Authors: Magnera Thomas F. , Dron Paul I. , Bozzone Jared P. , Jovanovic Milena , Roncevic Igor , Bu Wei , Miller Elisa M. , Michl Josef
Published: November 2022

Two-dimensional (2D) organic materials offer atomic precision for optoelectronics and energy-efficient nanoelectronics, but most are not easily patterned and tuned. The long-sought porphene [C20N4H2)∞, 1] has now been prepared in a hole-doped form from the zinc salt C20N4H12Zn (Zn-2) of porphyrin (C20N4H14, 2) by oxidative polymerization on aqueous surface accompanied by loss of zinc ions. After hole removal by excess reductant in the subphase, metal ions can be introduced to form Zn-porphene, (C20N4Zn)∞ (Zn-1), or other metalloporphenes. Reversible insertion of metal ions promises painting on an atomic canvas with distinct metal ions and ligands without removing any π centers from conjugation. The bond pattern in 1 and Zn-1 is deduced from in-situ and ex-situ spectra and images. Early GGA DFT computations for a perfect sheet of Zn-1 predicted a P4mm (D4h) square unit cell and metallic conductivity, but hybrid DFT predicts it to be a semiconductor with two slightly rectangular antiaromatic P2mm (D2h) unit cells containing deformed planar cyclooctatetraene, analogous to “Kekule” structures of a 2×2 fragment of Zn-1 and planar [4n]annulenes,, cf. a vast physics literature on 2D-Peierls distortions. The polymer sheet was transferred to solid substrates, producing multilayers of 1 (porphite) and semiconducting Zn-1 (Zn-porphite), analogous to graphite.
In situ monitoring of block copolymer self-assembly through con-trolled dialysis with light and neutron scattering detection
Authors: Fauquignon Martin , Porcar Lionel , Brûlet Annie , Le Meins Jean-Francois , Sandre Olivier , Chapel Jean-Paul , Schmutz Marc , Schatz Christophe
Published: November 2022

Solution self-assembly of amphiphilic block copolymers (BCs) is typically performed by solvent to water exchange. However, BC assemblies are often trapped in metastable states depending on the mixing conditions, such as the magni-tude and rate of water addition. BC self-assembly can be performed under near thermodynamic control by dialysis which accounts for a slow and gradual water addition. In this communication we report the use of a dialysis cell specif-ically designed to continuously monitor by dynamic light scattering and small-angle neutron scattering the morpho-logical changes of PDMS-b-PEG BCs during THF to water exchange. The complete phase diagrams of equilibrium structures can then be established. Spherical micelles first form before evolving to rod-like micelles and vesicles, de-creasing the total interfacial area of aggregates in response to increasing interfacial energy. The dialysis kinetics can be adapted to the time scale of self-assembly by modifying the membrane pore size. The approach described herein should be relevant in polymer self-assembly and in supramolecular chemistry in general to better understand the interplay between thermodynamics and kinetics in aggregate formation.
Planar Bismuth Triamides: A Tunable Platform for Main Group Lewis Acidity and Polymerization Catalysis
Authors: Hannah Tyler , McCarvell W. Michael , Kirsch Tamina , Hynes Toren , Mayho Jacqueline , Bamford Karlee , Vos Cyler , Kozak Christopher , George Tanner , Masuda Jason , Chitnis Saurabh
Published: November 2022

Geometric deformation in main group compounds can be used to elicit unique properties including strong Lewis acidity. Here we report on a family of planar bismuth (III) complexes (c.f. typically pyramidal structure for such compounds), which show a geometric Lewis acidity that can be further tuned by varying the steric and electronic features of the triamide ligand employed. The structural dynamism of the planar bismuth complexes was probed in both the solid and solution phase, revealing at least three distinct modes of intermolecular association. A modified Gutmann-Beckett method was used to assess their electrophilicity by employing trimethylphosphine sulfide in addition to triethylphosphine oxide as probes, providing insights into the preference for binding hard or soft substrates. Experimental binding studies were complemented by a computational assessment of the affinities and dissection of the latter into their intrinsic bond strength and deformation energy components. The results show comparable Lewis acidity to triarylboranes, with the added ability to bind two bases simultaneously and reduced discrimination against soft substrates. We also study the catalytic efficacy of these complexes in the ring opening polymerization of cyclic esters ε-caprolactone and rac-lactide. The polymers obtained are in the ultra-high molecular weight regime and show excellent dispersity values. The complexes retain their performance under industrially relevant conditions suggesting they may be useful as less toxic alternatives to tin catalysts in the production of medical grade materials. Collectively, these results establish planar bismuth complexes as not only a novel neutral platform for main group Lewis acidity, but also a potentially valuable one for catalysis.
Unusual Confinement-Induced Basicity and Proton-Mediated CH Activity of an Adipic Acid-Ammonium Cluster
Authors: Kreinbihl John , Frederiks Nicoline , Nickson Kathleen , Racow Emily , Chiu Melanie , Johnson Christopher
Published: November 2022

Organic acids play an important role in atmospheric chemistry, particularly in the formation of aerosol particles. Here we explore the reactivity of adipic acid, an analogue to the alpha-pinene oxidation product pinic acid, upon complexation with ammonium. Collision-induced dissociation mass spectra and mass-selective vibrational spectra show that relatively mild activation, consistent with breaking hydrogen bonds, yields (adipic acid)H+ and neutral ammonia. This is consistent with a higher proton affinity for adipic acid than ammonia that we trace to a specific structural motif in which both protonated carboxylic acid carbonyl groups combine to form a basic site that supports an additional bridging proton. Further mild collisional activation yields sequential loss of two water molecules, similar to the behavior of carboxylic acids in superacids, necessitating abstraction of at least one hydrogen from a CH group. Deuterium labeling experiments confirm that the second step indeed involves CH hydrogen atoms. Comparison of vibrational spectra and quantum chemical calculations allows us to assign structures for each step, identifying several ring structures but notably not forming the minimum energy structure upon the first loss of water. We propose a mechanism that explains this reactivity and discuss possible atmospheric implications of these observations.
A Taguchi Design of Experiments Approach for Untargeted Metabolomics Sample Preparation Optimization
Authors: Garcia Brianna M. , Gouveia Goncalo J. , Shaver Amanda O. , Borges Ricardo M. , Amster I. Jonathan , Edison Arthur S. , Leach III Franklin E.
Published: November 2022

Metabolomics commonly uses analytical techniques such as nuclear magnetic resonance (NMR) and liquid chromatography coupled to mass spectrometry (LC-MS) to quantify and identify metabolites associated with biological variation. Metabolome coverage from untargeted LC-MS studies relies heavily on the pre-analytical protocols used (e.g., homogenization and extraction). Chosen protocols impact which metabolites are successfully measured, which in turn impacts biological conclusions. Furthermore, different homogenization and extraction parameters produce significant variability in metabolome coverage, sample reproducibility, and extraction efficiency. There is a need for an efficient and systematic approach to optimize matrix-specific sample preparation parameters. Herein we describe a Taguchi design of experiments (DOE) approach for matrix-specific sample preparation optimization using model organism Caenorhabditis elegans. To demonstrate this methodology we optimized: i) extraction solvent, ii) volume, iii) extraction time, and iv) LC reconstitution solvent for a sequential non-polar and polar extraction, and confirmed our optimized results using NMR spectroscopy. DOE is rarely used in metabolomics, yet it provides a systematic path forward for optimizing multiple sample preparation parameters while keeping the number of experiments, labor, and costs necessarily low. Altogether, the Taguchi DOE method is an adaptable and scalable method well-fit for the diversity of current and future hypotheses studied using untargeted metabolomics.
Experience of Mediation of the European Union in the Russian-Georgian war of 2008
Authors: Solovey Galina , Kovtun Katerina
Published: November 2022

The article is devoted to defining evaluation criteria and explaining the reasons for the effectiveness and ineffectiveness of European Union mediation in the 2008 Russian-Georgian war. The analysis of the effectiveness of EU intervention in conflicts as a mediator is almost unexplored in Ukraine: Ukrainian scientists consider EU peacekeeping in a broad sense, but does not specifically focus on mediation. This article is an attempt to scientifically assess the effectiveness of the EU as a mediator in the Russian-Georgian war on the basis of developed criteria. The work is written within the general framework of the conflict resolution paradigm, and elements of the constructivist paradigm are also used to explain the meta-conflict present in the conflict system - the difference in narratives of the conflicting parties, which reduced the possibility of successful mediation. The context and process of European mediation were revealed using the case study method. The historical method was used to determine the root causes of the conflict. Using the method of discourse analysis, the features of the conflict system were determined. The paper identifies theoretical approaches to assessing the effectiveness of intervention, describes the features of the conflict system of the Russian-Georgian war, describes the process of European Union intervention in the conflict. The effectiveness of mediation in two stages is analyzed - mediation in the "hot phase" of the conflict and mediation in the Geneva negotiations. The effectiveness at each stage was evaluated according to the criteria formed on the basis of the above theoretical approaches. Contextual (motivation of the parties, levers of influence of the mediator) and procedural (strategy of the mediator) independent variables were analyzed. It was concluded that the degree of effectiveness of the intervention was determined by the interaction of these factors at each stage, but not one of them. The approach used in this study can be applied to assessing the effectiveness of mediation by both the EU and any other actor in resolving post-Soviet conflicts, particularly in the case of the Russian-Ukrainian war, which remained outside the scope of the study.
Оrganization of business processes in the conditions of digitalization
Authors: Dergachova Viktoriia , Vorzhakova Yuliia , Khlebynska Oleksandra
Published: November 2022

The article is devoted to the study of the organization of business processes in enterprises in the context of digitalization, which is especially important in the modern realities of the world. The subject of the study are the business processes themselves, namely such yoga as the main, auxiliary, business management processes and business development processes. The object of the article is the processes of digitalization, its components and the main directions of implementation in the activities of enterprises. The purpose of the article is to identify trends in the development and organization of business processes of economic entities, using modern tools for organizing the process, and directly to digitization. Various aspects of perception of the digitalization process are considered, consideration of the possible identification of such concepts as "digitalization", "digital transformation" and "digitalization". Thus, it is directly stated that the transition to a digital environment involves such a comprehensive and large-scale phenomenon that affects all aspects of the business organization, as "digital transformation". The components of digitalization of business processes of the enterprise, which consist of certain procedures and areas of implementation. Thus, the procedures include document management, data analysis, organization of activities, and areas of digitalization are production processes, control of work and product quality, logistics, value added, communication policy. The paper presents a logical-structural diagram of the technology of organizing business processes in terms of digitalization of the enterprise. With the help of this technology, enterprises have significant advantages, namely: quick access to databases on customers of the enterprise, type of economic activity; proper use of available resources of such data and potential of forecasting modeling; quickly and accurately predict trends and respond to market challenges. Despite the rather significant positive changes in the field of digitalization of enterprises, there are a number of unresolved issues that can be solved through digital tools.
Іmpact of the COVID-19 pandemic on the stock market: the ESG ETF case
Authors: Nehrey Maryna , Reminna Polina
Published: November 2022

The article is devoted to the analysis of the impact of the financial shock caused by the COVID-19 pandemic. As interest in responsible investing has declined in recent years, and a recent survey found that 75% of respondents worldwide integrate ESG into their investment approach, the study focused on the shock response processes of thirty ETF ESG companies, which are among the most important investment tools. ESG can be deciphered as "environment, social policy and corporate governance". In a broad sense, it is a sustainable development of business, based on the following principles: responsible attitude to the environment (from English, E - environment), ie how active the company is in the field of environmental protection; high social responsibility (from English, S - social). Businesses must provide employees with decent working conditions and equal employment opportunities, as well as support public organizations; high quality of corporate governance (from English, G - governance). These are the standards that guide business management, including ethical business practices, gender diversity on the board of directors, appropriate pay, and general business transparency. Also in this article, an analysis of investment risk and risk-return during the shock period of the COVID-19 pandemic. Three-time intervals were used for the study, namely: before the shock (lasted from 01.07.2019 to 15.01.2020), shock (from 16.01.2020 to 31.03.2020) and after the shock (from 01.04.2020 to 31.10.2021) periods. Two indicators have been proposed for the study: the depth of the decline and the recovery rate of return on financial assets. Almost all of the studied indicators showed a fairly good recovery at selected intervals. Risk-to-return ratios in the pre-shock and post-shock periods are considered using two approaches: volatility and Value-at-Risk. In the post-shock period, both approaches show an increased risk, but their degree varies.
Strategic directions of growing the economic potential of the enterprise
Authors: Pavlov Kostiantyn , Pavlova Olena , Shostak Liudmyla , Romanyuk Darina
Published: November 2022

The article considers and generalizes the definition of the category "economic potential", the author's interpretation of this definition is offered. Theoretical aspects of strategic increase of economic potential of enterprises are given. The economic potential of an enterprise is an integral part of the overall potential of any economic system. The economic situation in the country in recent years is increasingly conducive to increasing research in the context of economic development. There is usually no unambiguous interpretation of this definition, because as many scientists as there are opinions and approaches. Many scientists recommend conducting research on economic potential at both the macro and micro levels, which will take into account not only the factors of business development and its resource provision, but also the degree of impact on external capacity building and assess the consequences. The enterprise, as an economic system, independently forms, develops and uses its own economic potential at the discretion of management and for its effective development. Accordingly, the hypothesis arises that economic potential is the driving force of business competitiveness. That is, the competitive position of the company in the market depends on all factors of business success - ie economic potential. Achieving a high level of economic potential is the main criterion for the effective operation of the enterprise. This indicator characterizes the level of use of all resources of the enterprise, as well as its competitiveness in the market and the ability to respond to external and internal threats. When conducting a comprehensive assessment of the level of economic potential, it becomes clear what strategy should be used for its development and effective operation.