bluuebunny/crossref_metadata_2025 huggingface dataset:
Analysis of the Implementation of the SALAMAN Application by using Government Adoption Model (GAM)
Authors: Nababan Meilani Kesuma , Utomo Rio Guntur , Fathoni Muhammad Faris
Published: August 2024

The city of Bandung is one of the cities that has implemented e-government in government affairs in Indonesia. The government launched an integrated service application called Done in the Hand (SALAMAN) to improve public services in Bandung. This application service will make it easier for residents and immigrant residents who want to take care of population administration in Bandung. However, the biggest obstacle to using this new system is coming from the community itself. This study aims to determine the level of public acceptance of the new system using the Government Adoption Model (GAM) method and then determine the variable factors that influence the level of acceptance of the E-government application in Bandung. Questionnaires were distributed via Google form to collect data from residents of Bandung, regardless of whether or not they used the application. Four hundred participants participated in the study, making up the sample size for this research endeavor. The method used for the data analysis is the Structural Equation Modelling Partial Least Square (SEM PLS). According to the study's findings, the degree to which the society approves of the application is proportional to the degree to which the application provides good value to the society of Bandung City. A good application assessment based on the application user's positive feedback shows the extent of community approval for e-government services. The percentage of an evaluation carried out using the GAM also depends on the respondents' answers to all of the variables, which, on average, yielded a score of 78.40%, meeting the "good" requirements. The implementation of the application shows that the higher users' positive feedbacks, the higher users' intention continue using the application.
Implementation of Web-GIS Forest Resource Potential Mapping Using Y-Model
Authors: Somantri Somantri , Sujjada Alun , Fatimatuzahra Dinda Tsania
Published: August 2024

Sukabumi is one of the West Java Province regions with the potential for forest resources. The lack of renewal in the way data is processed has led to the need to develop information systems for mapping potential forest resources focused on the Sukabumi region. In doing so, the development of the system will help the government manage forest resources more efficiently. In the system development process, the Y-Model Framework of Web-GIS Development is used as a development method that is a combination of waterfall and agile approaches followed by 4 phases, with a combination of geographic information system engineering with the help of ArcGIS as a tool for mapping and web-based application development contexts. At the development stage, it was also built using text-to-speech technology to provide voice capabilities for the information displayed. The development of web-based GIS applications will help facilitate access to information about potential forest resources in the Sukabumi region for the community and related parties. The results of the development of this system are visualized in the form of maps based on the Geographic Information System (GIS) and presented online through a web application. The success of using the Y-Model framework in the development of this system is demonstrated in the User Acceptance Test (UAT) test results through a questionnaire instrument distributed to respondents with an average value obtained above 82%, which shows the level of user satisfaction with the system has been well received and shows that the application has met the needs of the user.
The Use of Multiple-choice Questions as an Assessment Tool in First-year University Physics Modules
Authors: Bhaw Nishaal , Kriek Jeanne , Rampho Gaotsiwe
Published: August 2024

The effectiveness of multiple-choice questions (MCQs) as an assessment tool has been a subject of interest in educational research. This study investigates the effectiveness of MCQs at the item level, focusing on aspects such as the difficulty index, discrimination index, distractor effectiveness, and overall reliability of the MCQ assessment. The research questions aim to provide insights into the performance and quality of MCQ items used in first-year modules over two years. Findings indicate that although the assessments are, on average, acceptably difficult, certain questions are too difficult. This difficulty is due to inappropriately designed MCQs, which is evidenced by the low overall reliability of the assessments. There is a statistically significant strong positive correlation between conformity to MCQ design guidelines and average assessment scores. The findings encourage ongoing discourse on the use of MCQs as an assessment tool to inform educators and policymakers about the strengths and weaknesses of MCQ design.
ANÁLISE DO PERFIL CLÍNICO EPIDEMIOLÓGICO DA HANSENÍASE EM UM MUNICÍPIO DO SERTÃO CENTRAL DO CEARÁ
Authors: Quirino Karolaine da Silva , Holanda Rose Lidice , Lima Danilo Cicero Rodrigues de , Cerdeira Denilson de Queiroz
Published: August 2024

O objetivo do artigo foi analisar o perfil clínico epidemiológico da hanseníase no município de Quixeramobim, no período de 2013 a 2022. Foram coletados dados através do Sistema de Informação de Agravos de Notificação (SINAN) sobre a incidência de casos de hanseníase no município em questão. Incluíram-se as seguintes variáveis: sexo, idade, escolaridade, raça, zona de residência, classificação operacional, forma clínica, lesões cutâneas, avaliação de incapacidades, esquema terapêutico e desfecho do caso. Após análise epidemiológica, verificou-se que foram notificados, de modo geral, 164 casos incidentes de hanseníase na microrregião de Quixeramobim. Observou-se que as notificações foram predominantes no sexo masculino (64%). Em relação à raça, verificou-se que 82,9% eram da cor parda e que possuíam algum grau de escolaridade (1° a 4° série) e que residem na localidade urbana. A classe operacional foi a multibacilar e as formas clínicas foram a dimorfa e a virchowiana, onde apresentaram lesões únicas e obtiveram o tratamento de 12 doses, e o tipo de alta que se destacou foi a cura. Concluiu-se que durante período de 2013 a 2022, foram notificados 164 casos, destes, 105 do sexo masculino e 59 do sexo feminino, em sua maioria pardos (82,9%). Quanto a escolaridade, predominou entre analfabetos (26,8%) e entre a 1ª e 4ª seria incompleta (27,4%), moradores da zona urbana (89,6%). No que se refere ao perfil clínico, eram classificados como paubacilar, com predominância da forma dimorfa, onde apresentaram até 5 lesões na avaliação.
Assistência pré-natal e parto: a vivência paterna
Authors: Friske Juliane Nair Buchholz , Pinto Bruna Knob , Tavares Daniel Soares , Riffel Ana Paula Konzen
Published: August 2024

Objetivo: Identificar, na literatura científica, a vivência paterna frente a assistência pré natal e parto do bebê. Métodos: Revisão integrativa realizada nas bases de dados LILACS, SciELO e PubMed, utilizando os descritores controlados “Paternidade” e “Pré-Natal”, em suas versões em português, espanhol e inglês, previamente pesquisadas no DECS e no MeSH. Resultados: Foram selecionados 13 artigos para comporem esta revisão, com amplitude temporal de 2007 a 2022, sendo todos em língua portuguesa. A participação paterna durante o pré-natal e parto suscitou respostas diversas. A aceitação e confirmação da existência real do bebê, veio acompanhada da realização dos exames de imagem e da ausculta de BCFs. Ainda, a participação paterna durante o pré-natal possibilitou melhor compreensão do processo gestacional. Com relação à vivência do parto, múltiplos sentimentos foram relatados, incluindo medo, nervosismo e senso de responsabilidade frente ao novo papel social. Considerações finais: Muitos profissionais de saúde ainda encontram dificuldades em incluir o parceiro nos processos de pré-natal e parto. Inclui-los exige paciência, sensibilidade e adaptação dos espaços de saúde, o que corrobora com a necessidade de melhorias tanto na formação de pessoal quanto na ambiência dos serviços.
HOUSING CONDITIONS AND LIFESTYLE OF A LENINGRADER IN THE 1950s – 1960s
Authors: Ярмолич Ф.К.
Published: August 2024

В статье на материалах Ленинграда 1950–1960-х гг. проведен ана- лиз соответствия жилищных условий декларируемым в СССР основным постулатам социалистического образа жизни. С этой целью предложена расширенная трак- товка дефиниции «жилищные условия», в которую, наряду с квартирным вопро- сом, включается и культурно-досуговая инфраструктура вблизи мест проживания ленинградцев. Исследование образа жизни в Советском Союзе обусловлено тем, что в совре- менной российской историографии этому вопросу не уделяется внимания, а интерес исследователей сконцентрирован на анализе повседневности советского человека. В то же время современные условия — значительный архивный материал и отсутст- вие идеологических ограничений, — которые не позволяли в должной мере изучить этот вопрос советским ученым, предоставляют благоприятные условия для объектив - ного и детального изучения этого важного элемента советской эпохи. Анализ условий проживания ленинградцев в 1950–1960-е гг. демонстрирует, в какой степени решение квартирного вопроса и создание необходимой культурной среды в новых городских районах соответствовали декларируемому образу жизни советского человека. В статье обозначены проблемы, которые возникали в этой сфере и негативным образом отразились на реализации основных постулатов социалистиче- ского образа жизни в практической плоскости. Подобная демонстрация достижений и недостатков, характерных для жилищной сферы Ленинграда 1950–1960-х гг., позво- ляет избежать идеализации или чрезмерной критической оценки советских реалий указанных десятилетий.
THE MAIN DIRECTIONS OF THE INFLUENCE OF MODERN TECHNOLOGIES ON THE DEVELOPMENT OF LAW
Authors: Абрамов Р.А. , Пашенцев Д.А.
Published: August 2024

Статья посвящена исследованию влияния современных технологий, связанных с переходом к новому технологическому укладу, на развитие права. Цель исследования — выявить особенности и главные направления такого влияния. Мето- дология исследования включает конструктивизм как направление современной пост- неклассической юриспруденции. Рассматривается воздействие цифровых технологий на три стадии конструирования правовой реальности: правотворчество, формирование правосознания, правоприменение. Подчеркивается, что смена технологического уклада ведет к появлению новых групп общественных отношений, не урегулированных пра- вом, что инициирует расширение правотворческой деятельности. Отмечается, что важ- ными для развития правовой сферы общества представляются не только цифровые технологии, но и биотехнологии. Сделан вывод, что новые технологии могут способст- вовать повышению эффективности правового регулирования; для этого они должны быть поставлены под контроль с учетом современных доктринальных разработок.
ON LEGAL UNDERSTANDING, LAW­MAKING AND LEGAL REALIZATION: THE NATURE OF THE RELATIONSHIP
Authors: Северухин В.А.
Published: August 2024

Статья посвящена проблемным вопросам выявления взаимосвязи таких правовых явлений, как правопонимание, правотворчество и правореализация. Уделяется внимание факторам, влияющим на правопонимание и детерминирующим содержание правотворчества и характер правореализации. Подчеркивается, что взаи- мосвязи трех названных явлений не могут быть прямолинейными. Это обусловлено исторически сложившимся нормативистским правопониманием в России, особен- ностями политической системы и действующего законодательства. Сделан вывод, что рассматриваемая теоретическая проблема может быть решена комплексно, на меж- дисциплинарной основе, с использованием возможностей и методов не только юрис- пруденции, но также политологии, социологии и экономики. Это даст возможности как для полного понимания характера взаимосвязи рассматриваемых явлений, так и для более точного прогнозирования процессов и результатов правотворчества и правореализации.
ON THE ISSUE OF PROTECTED ELEMENTS OF A MUSICAL WORK
Authors: Спектор Г.В.
Published: August 2024

В статье исследуются элементы формы музыкального произведения как объекта авторского права: мелодия, гармония и ритм, а также рассматривается дискуссия о самостоятельной охраноспособности мелодии как части произведения. В современной доктрине господствующей точкой зрения является признание за мело- дией самостоятельной правовой охраны. Согласно разъяснениям Верховного суда Российской Федерации, часть произведения подлежит самостоятельной правовой охране, если она как результат интеллектуальной деятельности создана творческим трудом, выражена в объективной форме и является узнаваемой при использовании отдельно от произведения. Однако поскольку, в силу законов музыки, мелодия при ис- пользовании ее отдельно от исходного произведения теряет свою узнаваемость, автор приходит к выводу о невозможности выделения мелодии в качестве охраноспособной части произведения.
CURRENT STATE OF TOURIST POTENTIAL OF THE PSKOV REGION
Authors: Круг Э.А.
Published: August 2024

Актуальность исследования обусловлена тем, что состояние ту- ристско-рекреационного комплекса отражает качество туристских услуг и влияет на социально-экономическое развитие региона. В статье представлены результаты исследования инфраструктуры туристской индустрии Псковской области. Представленные результаты авторского исследования имеют прикладной харак- тер, поскольку основные выводы сделаны вследствие изучения основных аспектов туристско-рекреационного комплекса Псковской земли. В связи с особыми условиями, сложившимися с 2019 года по настоящее время в сфере туризма, данная тема имеет важное значение в изучении приграничной территории. Цель статьи заключается в оценке отдельных составляющих туристско- рекреа ционного комплекса в ракурсе стратегии социально-экономического развития регионального туризма. Методология данного научного исследования обусловлена применением спектра следующих научных подходов: – географического, с целью исследования отдельных видов туризма и оценки природно-географических возможностей Псковской области; – экономического, для оценки индикаторов, влияющих на эффективность разви- тия туристического комплекса; – комплексного, позволяющий провести оценку составляющих туристско-рекре- ационного комплекса в совокупности с природно-климатической и социально-эконо- мической значимостью региона.
PRE-UNIVERSITY AS A FORM OF PARTNERSHIP BETWEEN ENTITIES AT DIFFERENT LEVELS OF EDUCATION
Authors: Ломовцева О.А. , Дунаева Ю.И.
Published: August 2024

В публикации рассмотрены вопросы усиления роли вузов в поли- тике подготовки кадров для регионального рынка труда на основе организации пред- профильного обучения и партнерства субъектов управления системой образования региона и обучающих организаций высшего образования. Раскрыты сущность и осо- бенности такой формы коллаборации партнеров, как предуниверсарий. Определены основные этапы развития предпрофильного образования в России, а также условия и принципы создания предуниверсариев. Приведены примеры реализации пилотного проекта «Московский предуниверсарий», практика некоторых вузов Москвы по созда- нию предуниверсариев и встраиванию их в организационную структуру и систему управления. Дан анализ нормативной базы создания и функционирования предуни- версариев. Приведены данные о финансировании предуниверсариев, созданных в рамках проекта ДОНМ, а также порядок оценки достижений целевых индикаторов реализации пилотного проекта участниками.
IEEE Terms Analysis of 2019-2024 IEEE Xplore Data on the Topic of Energy Systems
Authors: Chigarev B.N.
Published: August 2024

The keyword selection is crucial for the search of relevant literature and requires justification of queries to abstract databases and other sources to ensure accuracy and completeness of material collection. The topic "Energy Systems" is especially relevant due to the advancements of renewable energy sources, the application of modern management techniques and the increasing complexity of energy systems during the energy transition. The purpose of this work was to identify keywords that will be useful to subject-matter experts when gathering literature on the given topic, based on the records in the IEEE Terms field. Bibliometric data were exported from the IEEE Xplore platform in the following order: each 2,000 records sorted by relevance for the years 2019-2023 and 1,680 records relevant as of April 11, 2024 for the year 2024. The analysis rests on VOSviewer and Scimago Graphica, implementing the Clauset-Newman-Moore algorithm, and the agglomerative hierarchical clustering method implemented in Multidendrograms. Based on the findings, the main aspects of the Energy Systems topic are presented in tabular and graphical formats. The use of the fpgrowth utility demonstrated flexible capabilities in data preparation, which makes it worthwhile to conduct a separate study to analyze the ranking of the term co-occurrence obtained with its application.
About modern areal of mosquito Aedes (Stegomyia) aegypti i Aedes (Stegomyia) albopictus in Europe and Russia
Authors: Рославцева C.А.
Published: August 2024

Приведены данные литературы о распространении комаров Aedes aegypi (L.) и Ae. albopictus Skuze – переносчиков возбудителей опасных арбовирусных лихорадок по территории Европы и России и чувствительности к циперметрину, хлорпирифосу, Бактициду и Ларвиоль-пасте личинок комаров Ae. albopictus из района Большого Сочи.

Literature date on distribution of mosquito vectors of dangerous arbovirus fevers in Europe and Russia and sensitivity of mosquito larvae to cypermethurin, chlorpyrifos, Bacticid and Larviolpaste from the greates Sochi region are presented.
Sand fly of the black sea coast of the Crimean Peninsula
Authors: Баранец М.С.
Published: August 2024

Вдоль Черноморского побережья Крымского полуострова (от г. Севастополь до г. Феодосия) на наличие москитов было обследовано 19 населенных пунктов. Москиты были обнаружены в 12 пунктах сбора и принадлежали к 5 видам: Phlebotomus perfliewi, Ph. neglectus (49,5%), Ph. longiductus (1,5%), Ph. papatasi (0,8%) Ph. similis (0,7%). Распространение москитов на побережье Крыма носит неравномерный характер. Доминирующими видами на всей исследуемой территории являются Ph. neglectusи Ph. Perfiliewi. Остальные виды малочисленны и встречаются только в закрытых биотопах. Молекулярными методами (ДНК-штрихкодирование) была подтверждена видовая идентификация 4 видов, являющихся переносчиками висцерального лейшманиоза (ВЛ) и москитных лихорадок (МЛ). Результаты BLAST-анализа секвенированных фрагментов последовательностей этих видов показали от 87 до 100% идентичности с последовательностями соответствующих видов из стран, эндемичных по ВЛ и МЛ. На Черноморском побережье Крымского полуострова существует угроза возникновения новых случаев ВЛ, возобновления передачи лихорадки паппатачи и появления раннее неизвестных на этой территории заболеваний, передаваемых москитами.

An entomological survey was carried out in 19 settlements along the black sea coast of the Crimean Peninsula (from Sevastopol to Feodosia). Sand fly were found in 12 collection points and belonged to 5 species of Phlebotomus perfliewi, Ph. neglectus, Ph. longiductus, Ph. similis, Ph. Papatasi. Sand fly were nonuniformly distributed over the coastal areas of Crimea. Ph. perfiliewi and Ph. neglectus were the prevalent species on the on the Crimean Peninsula (94,7 and 95,8% respectively), these species are found throughout the study area and in all biotopes. Other species were caught in small numbers in closed biotopes only. The species identification of 4 species (are confirmed vectors of visceral leishmaniasis and sandfly fever in other endemic countries) was confirmed by PCR (DNA barcoding). These species are 87–100% identical with species from countries endemic in VL and ML by BLAST analysis of sequenced fragments. Can be new cases of VL and pappataci fever on the Crimean Peninsula. There is a threat of new ones for this territory of sand flyborne diseases.
The use of diatomites and marshalites as insecticides to control bedbugs and cockroaches
Authors: Кривонос К.С.
Published: August 2024

Исследована инсектицидная активность образцов диатомитов из разных месторождений России на постельных клопах Cimex lectularius и рыжих тараканах Blattella germanica.

Insecticidal activity of samples of diatomites from various Russian mineral deposits on the common bed bug Cimex lectularius and the German cockroach Blattella germanica was studied.
THE CORRELATION OF THE CONCEPTS OF MEANING FORMATION, PERSONAL MEANING, MEANING OF
Authors: DMITRIEVA L. G. , AKHMADEEVA E. V.
Published: August 2024

The article attempts to identify the structure and internal logic in the correlation of the concepts of meaning formation, personal meaning, and meaning of life. It is argued that the universal way (mechanism) of generating semantic formations is the process of meaning formation, which can be both conscious and unconscious. To the authors, this process seems to be “end-to-end” and invariant in its internal structure, relevant at different levels of meaning formation.
OCIAL COMPETENCE OF 5TH-FORM STUDENTS WITH NORMATIVE AND DELAYED MENTAL DEVELOPMENT
Authors: KIRIJ A. V.
Published: August 2024

The article presents a theoretical basis for studying the social competence of adolescents as a complex feature including three groups of competencies: social-cognitive, social-behavioural and social-emotional. The author describes the results of an experimental assessment of the social competence in 5th grade students with normative and delayed mental development. General trends are highlighted, and features specific to delayed development are characterised.
Social anxiety among students of socio-humanitarian areas of professional training
Authors: Tsvetkova N. A.
Published: August 2024

The subject of the study is social anxiety, the purpose is to determine its prevalence and severity in students of socio-humanitarian training areas.

   The principles of socio-psychological approach, methodology and method of socio-psychological diagnostics of social anxiety and social phobia by O. A. Sagalkova and D. V. Truyavtsev were used. The genera lized index of social anxiety (48.1 points), which corresponds to an elevated level with a tendency to high, has been determined. The dominant type of social phobia such as “Post-situational rumination and desire to overcome anxiety in expert situations” has been identified, the index of which (6.84 stens) tends to a high level. Students with this type of social anxiety make up the largest sharein the sample (48.13 %). Three groups of students have been identified and characterized: students with indicators of clinical social phobia and clinical social phobia in decompensation (about 20 % of the sample); students with elevated and high levels of social anxiety (slightly more than 50 %); students with low and moderate levels of social anxiety (slightly less than 30 %). Obtained results application score: higher school psychology; applied and practical social psychology; social protection system psychologists, clinical psychologists, medical psychologists, and psychiatrists. Prospects of the study is social anxiety monitoring in students of Russian universities. The study results confirmed the need for social anxiety monitoring in students of socio-humanitarian areas of professional training, about 50 % of whom to a greater or lesser extent need socio-psychological help, and about 20 % of whom need psychiatric help.
Russia’s technology trade with foreign countries in 2006–2021
Authors: Smirnov A. Yu.
Published: August 2024

Technology trade development is a necessary condition for increasing the level of economy competitiveness and rational integration of a country into the process of labor international division.

   The purpose of the study is to determine trends in international trade in technology development of Russia in 2006–2021.

   Based on the analysis of the Federal State Statistics Service data for 2006–2021, conclusions have been drawn that during the period under review, technology imports from Russia increased 4.4 times (up to USD 5.0 billion), while exports increased 8.8 times (up to USD 4.6 billion). The outstripping growth of exports compared to imports testifies to the increasing level of technological development of Russia, although the technology imports volume according to the methodology of the Federal State Statistics Service is underestimated relative to the real state. The leading role in techno logies export belongs to engineering services, the share of which reached 40 % in the total volume of trade in 2021. The growth in the engineering services export volume indicates the growth of economic entities’ competitiveness of a number of sectors of the national economy in the world market. In many respects, this result was achieved due to the successful activity of the Rosatom state corporation, which implements a number of large foreign projects for the nuclear power plants construction.
On the issue of preventing personnel corruption risks in the organization
Authors: Bobko T. V. , Ivanova E. V. , Nadeeva D. A.
Published: August 2024

The example of a service company demonstrates the need to prevent corruption risks, develop and implement a Regulation on Anti-Corruption Policy (hereinafter – the Regulation) and its implementation even in small companies. Potential corruption risks have been analyzed. The occurrence probability and the risks impact on a company’s goals and results have been assessed. The corruption risks map before and after the Regulation implementation have been developed and the expected results presented.

   The purpose of the study is to assess the importance of implementing anti-corruption policy for organizations of different sizes in the framework of modern socio-economic realities.

   The following objectives have been set: to disclose the corruption risks essence based on the analysis of the current crime situation in Russia; to analyze the specifics of a service company’s activities from the point of view of anti-corruption policy; to draw up a risk map based on a predetermined list of potential corruption risks typical for a service company; to develop a Regulation on anti-corruption policy; to assess the expected effect on the organization from its implementation. In order to achieve the stated goal and solve the specified tasks, such research methods as social audit, literature review, documentary sources study, analysis, analogy, description, synthesis, and generalization of the obtained data were used.

   The application of the above mentioned research methods allowed the most objective and comprehensive study and assessment of the HR corruption risks impact on a company’s objectives, its development trajectory, and the social responsibility degree to all stakeholders (employees, partners, customers, etc.).
Organizational and economic mechanism of infrastructure development in the field of customs services: regional aspect
Authors: Lisitsa A. A.
Published: August 2024

The article analyzes the organizational and economic mechanism of customs services infrastructure development on the example of the Far Eastern Federal District.

   The purpose of the study is to assess spatial and territorial location of customs and near-customs infrastructure elements, as well as features of economic activity of infrastructure subjects such as customs authorities, customs representatives, customs carriers, duty-free stores owners, temporary storage warehouses owners, customs warehouses, free warehouses, andauthorized economic operators.

   The relevance of the conducted scientific research is conditioned by the need to apply a comprehensive approach to assessment of the Far East region infrastructure from the position of providing customs services throughout the foreign economic activity supply chain.

   The task of the study is to determine the potential of the Far Eastern Federal District infrastructure in the context of changing parameters of demand from the participants of foreign economic activity.

   The research concept is based on the service-oriented customs administration theory and general methodological approaches to regional economic research. The results obtained allow us to conclude that the demand for customs services exceeds the available supply of regional infrastructure. The problems of the regional mechanism functioning have been outlined: carrying and storage capacities deficit, low level of established checkpoints infrastructure involvement, their insufficient equipment, area and throughput capacity, as well as shortcomings in technological processes organization, including when making decisions on the spatial location of customs infrastructure facilities, investment resources allocation, and the lack of interconnected regulation.
Towards a Unified Fold-Cusp Model for Bond Polarity Scaling: Electron Rearrangements in the Pyrolytic Isomerization of Cubane to Cyclooctatetraene
Authors: Ayarde Henríquez Leandro , Guerra Cristian , Pérez Patricia , Chamorro Eduardo
Published: August 2024

This study meticulously examines the criteria for assigning electron rearrangements along the intrinsic reaction coordinate (IRC) leading to bond formation and breaking processes during the pyrolytic isomerization of cubane (CUB) to 1,3,5,7 cyclooctatetraene (COT) from both thermochemical and bonding perspectives. The computed gas phase activation enthalpies obtained using state-of-the-art DFT functionals strongly align with experimental values. Notably, no cusp-type function was detected in the initial thermal conversion step of CUB to bicyclo[4.2.0]octa 2,4,7 triene ( as evidenced by examining the modulus of the Hessian determinant at all potentially degenerate critical points (CPs) and their relative distances. Contrary to previous reports, all relevant fluxes of the pairing density must be described in terms of fold unfolding. The transannular ring opening in the second step highlights characteristics indicative of a cusp-type catastrophe, facilitating a direct comparison with fold features. This fact underscores the critical role of density symmetry persistence near topographical events in determining the type of bifurcation. A fold cusp unified model for scaling the polarity of chemical bonds is proposed, integrating ubiquitous reaction classes such as isomerization, bimolecular nucleophilic substitution, and cycloaddition. The analysis reveals that bond polarity index (BPI) values within the [0, 10-5] au interval correlate with cusp unfolding, whereas fold spans over a broader [10-3, ∞) au spectrum. These insights emphasize that the cusp polynomial is suitable for describing chemical processes involving symmetric electron density distributions, particularly those involving homolytic bond cleavages; in contrast, fold characterizes most chemical events The elucidated unified model accurately captures the CUB to COT stepwise reaction mechanism, as illustrated by the sequence of catastrophes describing ELF topology changes along the IRC. The rigorous application of BET and identifying unfoldings that describe crucial electron rearrangements are highlighted as essential for understanding and predicting chemical reactivity.
Design and synthesis of pillared metal-organic frameworks featuring olefinic fragments
Authors: Mander Rachel , Schmidt Ashley , Ruf Michael , Korzyński Maciej
Published: August 2024

While metal-organic frameworks (MOFs) are known primarily for their well-defined crystalline porous structures that make them desirable in myriads of applications, they also distinguish themselves with their chemical tunability. One strategy for chemical tailoring of MOF structures is post-synthetic modification (PSM) targeting moieties present in their organic building blocks (linkers). In that context, alkene (olefinic) fragments are underrepresented in the realm of MOFs despite their extremely well-established and versatile chemistry. With the majority of reported olefinic MOFs falling into the microporous regime, the PSM opportunities involving bulkier reagents are severely limited. Herein, we report a family of UofT (University of Toronto) pillared MOFs constructed around olefinic 1,4-bis(2-(pyridin-4-yl)vinyl)benzene (BPVB) and tetrakis(4-carboxyphenyl)porphyrin (TCPP) linkers. By utilizing a variety of M(II) [M = Zn, Ni, Co] precursors, three structurally distinct frameworks were synthesized and characterized. Most notably, the nickel-based framework represents the first reported example of stable mesoporous olefinic pillared MOF. In addition to de novo formation of stable pillared MOF, Ni(II) is also used in a cation exchange process to structurally reinforce zinc-based framework.
Chatbot-Assisted Quantum Chemistry for Explicitly Solvated Molecules
Authors: Gadde Rohit S. K. , Devaguptam Sreelaya , Ren Fangning , Mittal Rajat , Dong Lechen , Wang Yao , Liu Fang
Published: August 2024

Advanced computational chemistry software packages have transformed chemical research by leveraging quantum chemistry and molecular simulations. Despite their capabilities, the complicated design and requirement for specialized computing hardware hinder their applications in the broad chemistry community. Here, we introduce AutoSolvateWeb, a chatbot-assisted computational platform that addresses both challenges simultaneously. This platform employs a user-friendly chatbot interface to guide non-experts through a multistep procedure involving various computational packages, enabling them to configure and execute complex quantum mechanical/molecular mechanical (QM/MM) simulations of explicitly solvated molecules. Moreover, this platform operates on cloud infrastructure, allowing researchers to run simulations without prerequisite computing hardware. As a proof of concept, AutoSolvateWeb demonstrates that combining virtual agents with cloud computing can democratize access to sophisticated computational research tools.
Hexanitrogen (N6): A Synthetic Leap Towards Neutral Nitrogen Allotropes
Authors: Qian Weiyu , Mardyukov Artur , Schreiner Peter Richard
Published: August 2024

The pursuit of nitrogen allotropes is considered a Holy Grail in high-energy-density materials research because they lend themselves as the cleanest envisionable energy storage materials by producing only benign N2 upon energy release. Here, we present the room temperature preparation of N6 (hexanitrogen) in the gas-phase through the reaction of Cl2 or Br2 with AgN3, followed by trapping in argon matrices at 10 K. We also prepared neat N6 as a film at liquid nitrogen temperature (77 K), indicating its unexpectedly high stability. Infrared and UV/Vis spectroscopy, 15N-isotope labelling experiments, and ab initio computations at the CCSD(T)/cc-pVTZ level of theory support our findings. The preparation of a metastable nitrogen allotrope beyond N2 opens new vistas for making long sought after, high-energy materials.
Modeling swelling of pH-responsive microgels: Theory and simulations
Authors: Brito Mariano E. , Höpner Ellen , Beyer David , Holm Christian
Published: August 2024

Combining a mean-field swelling model—which incorporates the Poisson-Boltzmann cell model for describing the electrostatics of microgels and a Flory-Rehner-based model for describing the polymer network—with the law of mass action to account for chemical reactions, we present a comprehensive swelling model for weakly charged microgels. This model provides an expression for the microgel osmotic pressure, used to determine the equilibrium swelling and, consequently, the net charge of the microgel as a function of reservoir pH, salt concentration, degree of polymerization, and other suspension and microscopic network properties. The model allows us to relate microscopic microgel features with the equilibrium swelling properties. The weak-field limiting case of the Poisson-Boltzmann theory is analyzed, yielding closed formulas. We validate the model against state-of-the-art coarse-grained simulations of a microgel, utilizing molecular dynamics to explore configurational degrees of freedom and the Monte Carlo grand-reaction method to simulate chemical reactions in equilibrium with a pH and salt reservoir. We test the model predictions for equilibrium ionization, size, and net charge against particle-based simulations and experiment. Our findings show that the model accurately describes microgel swelling and net charge over a wide range of pH levels. Although the accuracy decreases for larger salt concentrations, its overall qualitative accuracy makes it a reliable tool for parameter exploration and data interpretation, aiding in the rational design of microgel suspensions.
Carbon Chemical Speciation and Polymerization in Liquid Metals
Authors: Rana Devyesh , Egli Emma , Salamanca-Riba Lourdes , Lustig Steven
Published: August 2024

Quantitative understanding of the chemical spe- ciation and thermodynamics of metal-carbon polymeriza- tions within three different liquid metals, Al, Cu, and Ag, will enable new classes of high-performance materials. Metalo- carbons, low molecular weight metal-carbon species, are identified using ab initio molecular dynamics (AIMD) by monitoring the long-time evolution of thermodynamically fa- vored species within explicit metal atom solvent. Metalocar- bons observed in AIMD agree with the structures determined by ab initio molecular mechanics and statistical thermody- namics from a density functional theory implementation of a COnductor-like State MOdel (COSMO) of solvation. The metalocarbon Gibbs energies calculated from the COSMO implicit sol- vent agree quantitatively with the Gibbs energy long-time averages computed by AIMD with explicit metal atom solvent. Thermochemical analysis predicts that metalographene structures are thermodynamically more stable than smaller metalo- carbon species, suggesting that metalocarbons can be polymerized into larger metalographenes in liquid aluminum, copper, and silver solutions. We identify the influence of charge and electric field on the metal solution reaction mechanism thermo- dynamics. Redox reactions greatly affect the step addition equilibrium constants. COSMO and AIMD predict aluminum-carbon vibrational spectra from inelastic neutron scattering (INS) within liquid metal and solid metal compositions. An experimental INS spectrum of an aluminum covetic with 3 wt% carbon matches specific aluminographenes. This novel finding provides a unique avenue for identifying different metalographene compositions within covetics and may become an important tool to develop high performance materials in many different metals.
Fiscal Accountability to te Tiriti o Waitangi
Authors: Willson Holly , Scobie Matthew
Published: August 2024

This article investigates possible models for strengthening fiscal accountability to te Tiriti o Waitangi. We utilise the spheres of influence framework set out by Matike Mai Aotearoa (2016), with a rangatiratanga sphere, a kāwanatanga sphere and a relational sphere. We outline tax-like practices in the rangatiratanga sphere and how the kāwanatanga sphere resources itself. We then explore expectations and protocols for accountability within the respective spheres, before proposing three possible models to strengthen fiscal accountability in line with te Tiriti o Waitangi. These models include a Māori tax commissioner, a Waitangi Tribunal kaupapa inquiry into or including fiscal authority, and an independent Māori tax authority.
Penerapan Perawatan Metode Kanguru dan Terapi Murottal pada Bayi Berat Lahir Rendah
Authors: Anjani Widya Tri , Sulistyawati Erna
Published: August 2024

Bayi berat lahir rendah (BBLR) merupakan bayi yang berat lahirnya kurang dari 2500 gram, tanpa memperhatikan masa kehamilan. Kejadian BBLR disebabkan karena faktor internal dan faktor eksternal. Studi kasus ini bertujuan untuk meningkatkan suhu tubuh dan meningkatkan berat badan pada BBLR di RSD K.R.M.T Wongsonegoro. Metode yang digunakan pada studi kasus ini adalah descriptive study dengan menggunakan pendekatan asuhan keperawatan yang terdiri dari pengkajian, diagnosa keperawatan, intervensi keperawatan. Implementasi keperawatan dan evaluasi keperawatan, dengan menggunakan Perawatan Metode Kanguru dan Terapi Murottal yang dilakukan sehari sekali selama 4 hari pemberian dengan waktu PMK 3 jam dan Terapi Murottal 30 menit.  Hasil dari sesudah dilakukannya penerapan perawatan metode kanguru dan Terapi Murottal pada 3 subyek studi mengalami peningkatan suhu badan dan berat badan pada Bayi berat lahir rendah di ruang Perinatologi RSD K.R.M.T Wongsonegoro Semarang. Keseimpulan pada suhu badan dan berat badan pada bayi berat lahir rendah diperoleh hasil sesudah dilakukannya perawatan metode kanguru dan terapi murottal mengalami peningkatan pada suhu dan berat badan Bayi berat lahir rendah.
Pijat Oksitosin Untuk Meningkatkan Kelancaran Produksi ASI pada Ibu Nifas
Authors: Puspita Sari Ratna Aprilia , Khayati Nikmatul
Published: August 2024

Latar belakang : Kejadian yang timbul pada ibu yang kesulitan menyusui karena ASInya tidak lancar, terutama melahirkan anak pertama. Selain itu ibu sering mengeluh bayinya menangis, menolak menyusu, atau tidak menyusu karena putingnya sakit. Ini sering diartikan sebagai ASI yang tidak mencukupi atau buruk, dan karena itu memilih untuk tidak menyusui. Terapi non farmakologis yang dapat memperlancar ASI salah satunya dengan Pijat Oksitosin . Tujuan : studi kasus ini bertujuan untuk menerapkan pijat Oksitosin untuk meningkatkan kelancaran ASI pada ibu nifas di klinik bidan Delima Bangetayu Kulon. Metode studi kasus :Studi kasus ini dilakukan dengan metode deskriptif dengan pendekatan proses pemetaan yang menggambarkan pemeliharaan kasus dalam penerapan pijat oksitosin untuk meningkatkan kelancaran ASI pada ibu nifas yang mencakup 3 orang subjek penelitian yang diperoleh dari pre-test yang sesuai kriteria inklusi. kriteria inklusi : ibu nifas hari ke tujuh, ibu melahirkan normal,ibu tidak sedang menjalani pengobatan. Hasil : hasil studi kasus pada responden ketiga dengan pengeluaran ASI yang tidak lancar setelah dilakukan pijatan oksitosin selama 3 hari dengan 3x pertemuan dan lama waktu yang digunakan 15 menit terjadi peningkatan jumlah ASI, frekuensi menyusui, frekuensi BAK/BAB bayi. Kesimpulan : pijat oksitosinmenjadi salah satu terapi non farmakologis yang efektif untuk meningkatkan kelancaran produksi ASI pada ibu nifas.
STUDI LITERATUR RESPONS SISWA SMK PADA PENGEMBANGAN E-MODUL UNTUK MATA PELAJARAN PRODUKTIF
Authors: Fauzan Dwi Fasa Nur , Dermawan Dodik Arwin
Published: August 2024

Pengembangan E-Modul untuk mata pelajaran produktif siswa smk merupakan salah satu terobosan media bahan belajar siswa berbasis digital. Umumnya bahan belajar siswa masih terpaku pada materi yang disampaikan guru atau berupa buku cetak. Media tersebut kurang efisien dan berdampak menimbulkan kebosanan ke siswa sehingga pemahaman siswa tidak optimal sedangkan e-modul selain menyajikan materi, di dalamnya juga ditambahkan animasi, video, audio. Dengan rancangan media belajar yang semenarik itu, diharapakan dapat memberikan kemandirian dan pengalaman belajar langsung dalam mengembangkan bakat dan potensi yang dimiliki siswa smk. Tujuan dari studi ini adalah mengetahui efisiensi media belajar dan respons siswa smk pada beberapa pengembangan e-modul yang dikembangkan berbasis Moodle dan Android. Metode Systematic Literature Review (SLR) digunakan dalam penelitian artikel ilmiah ini. Tahap berikutnya adalah penetapan pertanyaan penelitian ( research question) yang dapat dijawab setelah dilakukan proses pengidentifikasian dan pengevaluasian dengan metode SLR. 10 referensi jurnal dipilih berdasarkan hasil studi peneliti, diperoleh data bahwa pengembangan e- modul untuk mata pelajaran produktif berbasis Moodle dan Android mendapatkan respons yang sangat baik pada siswa smk. Rata-rata kalkulasi respons siswa pada 12 referensi jurnal yang dipakai adalah <85%.
STUDI LITERATUR PENGARUH METODE PEMBELAJARAN INKUIRI TERHADAP KEMAMPUAN BERPIKIR KRITIS SISWA SEKOLAH MENENGAH KEJURUAN
Authors: Firdaus Valiant Shan , Sujatmiko Bambang
Published: August 2024

Perkembangan industri di dunia kerja menyebabkan keterampilan pemecahan masalah perlu ditingkatkan pada setiap sumber daya manusia. Hal tersebut merubah cara pandang masyarakat terhadap pendidikan di sekolah. Pendidikan harus mampu menempa dan menghasilkan peserta didik yang dapat memenuhi kriteria  keterampilan tersebut. Berdasarkan pernyataan tersebut, penulis akan melakukan penelitian literatur yang berkaitan dengan pengaruh penerapan metode inkuiri dalam proses belajar mengajar atau inquiry learning pada kemampuan softskill berpikir kritis siswa saat pembelajaran. Penelitian literatur ini memiliki tujuan yakni untuk mengetahui pengaruh inquiry learning pada kemampuan berpikir kritis siswa dalam proses belajar mengajar. Metode yang dipakai peneliti merupakan metode SLR (Systematic Literatur Review). Hasil dari review dan analisis pada masing – masing literatur dinyatakan bahwa ditemukan pengaruh positif pada kemampuan berpikir kritis pada siswa SMK setelah dilakukan proses belajar mengajar dengan menerapkan inquiry learning atau pembelajaran menggunakan metode inkuiri. Siswa juga mengalami peningkatan hasil belajar pada beberapa literatur penelitian yang telah dianalisis serta didapatkan respon yang positif dari siswa saat melakukan pembelajaran berbasis inkuiri. Sehingga dari analisis beberapa literatur terkait didapatkan kesimpulan bahwa implementasi metode inkuiri efektif digunakan pada proses belajar mengajar oleh siswa Sekolah Menengah Kejuruan dalam rangka meningkatkan kemampuan berpikir kritis pada siswa.
PENGEMBANGAN E-MODUL INTERAKTIF BERBASIS WEBSITE DENGAN MODEL PEMBELAJARAN PROJECT BASED LEARNING UNTUK MENINGKATKAN MINAT BELAJAR SISWA PADA MATA PELAJARAN PKWU DI SMKN 10 SURABAYA
Authors: Purba Madelin Christina , Sujatmiko Bambang
Published: August 2024

Media pembelajaran ialah bentuk yang digunakan untuk mengkomunikasikan informasi antara guru dan siswa. Media pembelajaran yang akan disiapkan harus disesuaikan dengan kebutuhan jurusan sekolah. Pada penelitian ini terdapat beberapa masalah yaitu media pembelajaran yang digunakan di sekolah hanya mengacu pada LKS (Lembar Kerja Siswa) dan fasilitas LCD yang terbatas, mata Pelajaran Produk Kreatif dan Kewirausahaan (C3) yang menuntut siswa untuk melakukan praktik, dan sekolah menggunakan sistem moving class sehingga diperlukan media pembelajaran yang lebih efektif dalam mengakses materi. Penelitian ini dilakukan melalui metode Research and Development (RnD) dengan menggunakan model pengembangan tipe ADDIE. Pengukuran minat belajar siswa tercermin dari hasil tes keterampilan psikomotorik siswa berupa Pretest-Posttest Control Group Design, serta penyebaran angket minat belajar di kalangan siswa.. Setelah penelitian selesai maka diperoleh hasil uji hipotesis yaitu .sig (2 tailed) = 0.00 dimana 0.00< 0,05 (tingkat signifikansi), maka H0 ditolak dan H1 diterima, maka terdapat perbedaan kemampuan psikomotorik siswa sebelum dan sesudah menggunakan lingkungan pembelajaran e-modul interaktif berbasis web dengan model pembelajaran berbasis proyek. Peningkatan yang didapatkan dari kelas XI Multimedia 1 sebesar 45,74% dan kelas XI Multimedia 2 sebesar 46,78%. Dipaparkan juga hasil analisis minat belajar siswa terhadap media yang dikembangkan menunjukkan bahwa minat belajar siswa pada kelas eksperimen sebesar 88,33% untuk materi 1 dan 90,91% untuk materi 2 yang berarti berada pada tingkat yang sangat baik.