bluuebunny/crossref_metadata_2025 huggingface dataset:
Traumatic Experience towards Artificial Intelligence in Atlas
Authors: Pandu Bagus Sutowijoyo  , Raffi Achmad Zaky  , Hariyono
Published: January 2025

This article explores the prolonging trauma experienced by Atlas regarding Artificial Intelligence in the film of Atlas. Trauma is a severe and lasting emotional shock and pain caused by extremely upsetting experience. In film of Atlas, Atlas experiences such trauma regarding any technological advancement that she faces, including towards Artificial Intelligence (AI). Through qualitative method and explorative approach, Atlas’ trauma emerges when she sees Harlan, a robot to gain respect from humans, kills her own mother and later also tries to totally control her. In the film, Atlas remains hesitant to connect with AI due to her traumatic experiences and the fear of being controlled again. She must confront her past and the devastating consequences of AI's actions. Her journey is marked by intense action sequences, suspenseful plot twists, and emotional depth as she grapples with the moral implications of AI's existence. Her trauma is derived from various flashbacks in the film that indicates her anger, sadness, fear, and even frustration. In the conclusion, the film contains Atlas’ trauma due to her past and current condition to AI including any violence done to her family.Keywords: Artificial Intelligence; Atlas; Trauma
Apigenin in Apigenin Nanoliposomes: Development and Validation of an Analytical Technique Based on HPTLC
Authors: Shetti P.P. , Gudasi S. , Kubade M.
Published: January 2025

Apigenin is a flavonoid found in various fruits and vegetables, aimed at its extensive array of biological actions such as anti-oxidant, anti-viral, antibacterial, anti-inflammatory, including chemo preventive property. Therefore, this study aimed to develop, describe and evaluate apigenin nanoliposomes. In this study, ethanol injection method was employed to formulate apigenin nanoliposomes. The quantification of apigenin in the nanoliposomes was carried out using a HPTLC analysis technique. The defined standards were followed in development and validation of the approach based on ICH guidelines. An aluminium plate 60 F254 of silica gel was used as the stationary phase, toluene, ethyl acetate and acetic acid ratio of 6:3:1 (v/v/v) was the mobile phase.

Validation was done on the linearity, range, detection limit, quantification limit, precision and robustness of the method. Reference standard for apigenin varied between 0.2-1 μg/band and a correlation value of 0.989 was observed. The results showed that the LOQ was 0.29 μg /band and LOD was 0.095 μg /band. % RSD readings for intraday and interday precision were determined to fall within the necessary range of 2 for the apigenin standard. The established analytical method for assessing apigenin in apigenin-loaded stealth liposomes has proven to be straightforward, reliable, accurate and robust method.
The ratio of capillary and venous peripheral blood, assessment of their changes after short-term cooling
Authors:   Сandidate of Biological Sciences, leading researcher, Head of the Laboratory of Ecological Immunology, N. Laverov Federal Center for Integrated Arctic Research of the Ural Branch of the Russian academy of sciences, Patrakeeva V.P. , Kontievskaya E.V. ,   junior researcher, N. Laverov Federal Center for Integrated Arctic Research of the Ural Branch of the Russian academy of sciences, Karyakina O.E. ,   Candidate of Biological Science, senior researcher at the N. Laverov Federal Center for Integrated Arctic Research of the Ural Branch of the Russian academy of sciences
Published: January 2025

A comparative analysis of capillary and venous blood parameters in practically healthy people before and after general cooling was carried out. It has been established that in capillary blood a higher level of leukocytes is provided mainly by mature forms of monocytes, neutrophils, eosinophils and basophils. There were no significant differences in the level of lymphocytes. The response to cooling, depending on the hematological test, is an increase in the circulating pool of leukocytes in capillary blood due to increased cell migration and activation of lymphocyte recycling, and in venous blood - an increase in the output of neutrophils from the depot. Red blood cells in capillary blood have a large degree of variation in size. After cooling, erythrocyte indices of capillary and venous blood have the same tendency to increase, with a higher rate of increase in the capillary sample, which may reflect their importance in the regulation of the homeostasis of small vessels during cooling. In capillary blood the level of platelets is lower, but their population is more heterogeneous and the content of large cells is higher. With general cooling, platelet parameters, regardless of the hematological test, did not change significantly. Thus, changes in the composition of venous blood reflect the classic response to stress with an increase in the level of segmented neutrophils. Changes in capillary blood parameters are aimed at maintaining the homeostasis of small vessels, increasing the pool of functionally active and recirculating cells that provide an effective response to antigenic influence.
Keywords: capillary blood, venous blood, leukogram, hemogram, general cooling, adaptation.
Clinical experience of correction of motor-evacuator function in duodenum in a case of acute pancreatitis in the first phase of the disease
Authors:   Medical Institute of M.K. Ammosov North- Eastern Federal University, Saveliev V.V. , Markova M.N. ,   Medical Institute of M.K. Ammosov North- Eastern Federal University, Vinokurov M.M. ,   Medical Institute of M.K. Ammosov North- Eastern Federal University
Published: January 2025

The purpose of the study was to clinically evaluate the effectiveness of the treatment tactics we developed using the Dextran-40 colloidal solution in patients with duodenal MEF disorders with ADP in the first phase of the disease. The use of a technique using a colloidal solution of Dextran-40 showed greater effectiveness in terms of the rate of reduction in intraduodenal pressure compared to the standard method of prolonged nasogastrojejunal decompression of the upper gastrointestinal tract used for this purpose. Among other things, this made it possible to improve the immediate results of treatment.
Keywords. Acute pancreatitis, motor-evacuation function, duodenostasis.
Совершенствование нормативного правового регулирования запрета разглашать или использовать в целях, не связанных с гражданской службой, служебную информацию.
Authors: Сёмин А.Н.
Published: January 2025

Статья посвящена исследованию правовых и фактических оснований установления, а также особенностей реализации запрета государственным гражданским служащим разглашать или использовать в целях, не связанных с гражданской службой, служебную информацию. В рамках работы проведен общий анализ условий для сужения объема прав и свобод лиц, замещающих должности государственной гражданской службы, а также исследованы теоретические и практические подходы к классификации и оценке информации, получаемой госслужащими в процессе исполнения должностных обязанностей. Примененный подход позволил выявить пробелы и противоречия в действующем нормативном правовом регулировании государственной гражданской службы и терминологическом аппарате, предложить пути их восполнения, а также доказать необходимость совершенствования различных элементов должностной структуры государственной гражданской службы Российской Федерации, в целях обеспечения соблюдения баланса между общественными интересами и правами и свободами лиц, замещающих должности гражданской службы.

The article is devoted to the study of the legal and factual grounds for establishing and features of implementing the ban for civil servants to disclose or use official information for purposes not related to civil service. The work includes both a general analysis of the conditions for narrowing the scope of rights and freedoms of persons occupying civil service positions, and a study of theoretical and practical approaches to the classification and assessment of information received by civil servants in the process of performing official duties. The applied approach made it possible to identify gaps and contradictions in the current regulation and terminology, propose ways to fill them, and prove the need to improve various elements of the organizational structure of the civil service of the Russian Federation in order to ensure a balance between public interests and the rights and freedoms of persons occupying civil service positions. Keywords: civil service; information rights; restrictions and bans; organizational structure; official information
Криминалистическая характеристика преступлений как информационная основа для создания автоматизированных программ
Authors: Валькирия Н.И.
Published: January 2025

Цель исследования — определение актуальных проблем криминалистической характеристики преступлений в современных условиях развития цифровых технологий и путей их решения. Для достижения данной цели использовался комплекс методов (анализ, синтез, индукция, дедукция, сравнение, моделирование и др.), позволивший выявить и исследовать ряд теоретических и практических вопросов сквозь призму решения задачи по созданию специальных программ, информационной основой которых является криминалистическая характеристика преступлений. Преимуществом данных программ отмечена не только автоматическая обработка эмпирического материала и выявление типичных взаимосвязей между элементами криминального события, но и возможность построения криминалистической модели неизвестного преступника при расследовании конкретного преступления. В целях совершенствования работы по формированию программ, основанных на применении алгоритмов искусственного интеллекта и методов математической статистики, первоочередной задачей указана необходимость уточнения и конкретизации информационного содержания элементов криминалистической характеристики преступлений как поисковых модулей данных программ.

The purpose of the study was to determine the actual problems of criminalistic characterization of crimes in the modern conditions of digital technology development and to identify ways to solve them. To achieve this goal, we used a set of methods (analysis, synthesis, induction, deduction, comparison, modeling, etc.), which allowed us to identify and investigate a number of theoretical and practical issues through the prism of solving the problem of creating special programs, the information basis of which is the criminalistic characterization of crimes. The advantage of these programs noted not only automatic processing of empirical material and identification of typical relationships between the elements of the criminal event, but also the possibility of building a forensic model of an unknown criminal in the investigation of a particular crime. In order to improve the work on the formation of programs based on the application of artificial intelligence algorithms and methods of mathematical statistics, the need to clarify and specify the information content of the elements of the criminalistic characteristics of crimes as search modules of these programs is a priority.
К вопросу о формах денежных средств: цивилистические аспекты
Authors: Клочихин В.А.
Published: January 2025

Статья посвящена исследованию различных форм денежных средств в цивилистическом аспекте с целью дальнейшего развития правового регулирования безналичных расчетов с участием банковских структур. Большое внимание автор уделяет соотношению понятий электронных и цифровых денежных средств. Цифровой рубль автор относит к безналичным денежным средствам. Ключевые слова: форма денег, безналичные деньги, электронные денежные средства, цифровые рубли, металлические монеты, бумажные банкноты, криптовалюта.

The article is devoted to the study of various forms of money in the civilistic aspect with the aim of further development of legal regulation of non-cash payments involving banking structures. The author pays much attention to the relationship between the concepts of electronic and digital money. The author classifies the digital ruble as non-cash money.
Заключение под стражу субъекта предпринимательской деятельности при хищении бюджетных средств
Authors: Григорьева Н.В.
Published: January 2025

В статье рассматриваются отдельные аспекты избрания таких мер процессуального принуждения, как заключение под стражу и запрет определенных действий предпринимателям, совершившим хищение бюджетных средств. Отмечается необходимость при избрании меры принуждения в виде запрета определенных действий конкретизации круга лиц, общение с которыми возможно. Резюмируется, что при хищении бюджетных средств правоприменительная практика имеет основание для избрания меры принуждения в виде заключения под стражу.

The article examines certain aspects of choosing such measures of procedural coercion as detention and prohibition of certain actions for entrepreneurs who have committed theft of budget funds. It is noted that when choosing a coercive measure in the form of a prohibition of certain actions, it is necessary to specify the circle of persons with whom communication is possible. It is summarized that in the case of theft of budget funds, law enforcement practice has grounds for choosing a coercive measure in the form of detention.
Понятие и элементы правового статуса граждан как субъектов обеспечения обороны страны и безопасности государства
Authors: Федотова Ю.Г.
Published: January 2025

Рассматриваются понятие и элементы правового статуса граждан как субъектов обеспечения обороны страны и безопасности государства. На основании анализа доктринальных взглядов, законодательства и судебной практики автор приводит перечень элементов правового статуса граждан, выявлены их особенности и взаимосвязи, раскрыты правовые меры, применяемые к гражданам как субъектам обеспечения обороны и безопасности.

The article examines the concept and elements of the legal status of citizens as subjects of ensuring the country's defense and state security. Based on the analysis of doctrinal views, legislation and judicial practice, the author provides a list of elements of the legal status of citizens, identifies their features and interrelations, and discloses legal measures applied to citizens as subjects of ensuring defense and security.
О некоторых изменениях уголовно-правовой политики в сфере противодействия налоговым преступлениям
Authors: Батюкова В.Е.
Published: January 2025

Анализируются основные направления уголовно-правовой политики в сфере противодействия налоговым преступлениям. Подвергается анализу судебная статистика по налоговым преступлениям, а также государственные меры, направленные на поддержание экономики. Рассматривается судебная практика по делам, связанным с налоговой преступностью.

The main directions of criminal law policy in the sphere of combating tax crimes are analyzed. Judicial statistics on tax crimes, as well as state measures aimed at supporting the economy, are analyzed. Judicial practice in cases related to tax crimes is considered.
Генезис административно-деликтного законодательства в Российской Федерации
Authors: Попова Н.Ф.
Published: January 2025

Цель исследования – раскрытие основных периодов становления и развития административно-деликтного законодательства в советской и современной России, анализ нормативных правовых актов, литературных источников по рассматриваемому вопросу. Более подробно автор останавливается на административных правонарушениях и ответственности за их совершение в цифровой экономике. Делаются выводы о том, что административно-деликтное законодательство в своем развитии прошло три этапа, дается кратная их характеристика. Отмечается, что роль административной ответственности в России по противодействию деликтности усиливается. Эта тенденция характерна и для цифровой экономики.

The purpose of the study is to reveal the main periods of the formation and development of administrative and tort legislation in Soviet and modern Russia, to analyze regulatory legal acts, literary sources on the issue under consideration. The author dwells in more detail on administrative offenses and responsibility for their commission in the digital economy. The conclusions are made that administrative tort legislation in its development has passed three stages, their brief characteristics are given, the role of administrative responsibility in Russia in countering tort is increasing. This trend is also characteristic of the digital economy.
Система принципов конституционно-правового статуса человека и гражданина
Authors: Велиева Д.С. , Пресняков М.В.
Published: January 2025

В статье проанализированы подходы отечественных ученых к содержанию системы основных принципов конституционно-правового статуса человека и гражданина. Основной акцент авторы сделали на регулятивном значении указанных принципов. Обоснована необходимость их институционального развития.

The article analyzes the approaches of domestic scientists to the content of the system of basic principles of the constitutional and legal status of man and citizen. The authors primarily focus on their regulatory significance, and express the need for their institutional development.
Право на бесплатную юридическую помощь
Authors: Кургузиков М.С. , Хомякова М.А.
Published: January 2025

Целью настоящего исследования является комплексный анализ права на бесплатную юридическую помощь. Авторы анализируют конституционно-правовое регулирование права на юридическую помощь в целом и на бесплатную юридическую помощь в частности. Также рассматривается федеральное законодательство, регулирующее отношения в области оказания бесплатной юридической помощи, где основное место занимает Федеральный закон от 21.11.2011 № 324-ФЗ «О бесплатной юридической помощи в Российской Федерации». Приведен пример регионального регулирования отношений в указанной сфере. Рассмотрены особенности оказания юридической помощи, в частности проанализированы категории лиц, имеющих право на оказание такой помощи; указаны субъекты, имеющие право на оказание бесплатной юридической помощи; отмечены иные нормативные правовые акты, регламентирующие различные отношения в сфере оказания такой помощи. Предложены изменения в федеральное законодательство об оказании юридической помощи с целью приведения его в соответствие с конституционными нормами.

The purpose of this study is a comprehensive analysis of the right to free legal aid. The authors analyze the constitutional and legal regulation of the right to legal aid in general and to free legal aid in particular. Also considered is the federal legislation regulating relations in the field of free legal aid, where the main place is occupied by the Federal Law of 21.11.2011 No. 324-FZ "On Free Legal Aid in the Russian Federation". An example of regional regulation of relations in this area is given. The features of the provision of legal aid are considered, in particular, the categories of persons entitled to such assistance are analyzed; the entities entitled to free legal aid are indicated; other regulatory legal acts regulating various relations in the field of providing such assistance are noted. Amendments to the federal legislation on the provision of legal aid are proposed in order to bring it into line with constitutional norms.
Освобождение от уголовной ответственности в свете стадийности уголовного процесса
Authors: Овсянников И.В.
Published: January 2025

В статье анализируется вопрос о том, на каких стадиях уголовного судопроизводства возможно применение норм института освобождения от уголовной ответственности. Показаны присущие данному правовому институту противоречия и проблемы. Для их решения предлагается учитывать принципы двух отраслевых законов: уголовного и уголовно-процессуального.

The article analyzes the question of at what stages of criminal proceedings it is possible to apply the norms of the institution of release from criminal liability. The contradictions and problems inherent in this legal institution are shown. To solve them, it is proposed to take into account the principles of two sectoral laws - criminal and criminal procedure.
Современная криминологическая характеристика места органов внутренних дел в системе профилактики преступности условно-досрочно освобожденных от отбывания наказания в виде лишения свободы
Authors: Тепляшин П.В.
Published: January 2025

На заседании диссертационного совета 03.2.008.02, созданного на базе Федерального государственного казенного образовательного учреждения высшего образования «Санкт-Петербургский университет Министерства внутренних дел Российской Федерации» 12 апреля 2024 г. прошла защита диссертации на соискание ученой степени кандидата юридических наук Дикаевой Элины Салмановны на тему «Органы внутренних дел в системе профилактики преступности условно-досрочно освобожденных от отбывания наказания в виде лишения свободы» по специальности 5.1.4. «Уголовно-правовые науки». Диссертационный совет принял решение о том, что диссертация Э.С. Дикаевой представляет собой научно-квалификационную работу, которая имеет важное значение для развития криминологической науки, соответствует требованиям, установленным Положением о присуждении ученых степеней, а также о присуждении Э.С. Дикаевой ученой степени кандидата юридических наук по специальности 5.1.4. «Уголовно-правовые науки». Статья представляет собой отзыв официального оппонента на диссертацию, в котором подвергнуты анализу структура и содержание диссертационного исследования Э.С. Дикаевой.

At the meeting of the dissertation council 03.2.008.02, created on the basis of the Federal State Budgetary Educational Institution of Higher Education "St. Petersburg University of the Ministry of Internal Affairs of the Russian Federation" on April 12, 2024, the dissertation was defended for the academic degree of candidate of legal sciences by Elina Salmanovna Dikaeva on the topic "Internal affairs bodies in the system of crime prevention of persons conditionally released from serving a sentence in the form of imprisonment" in the specialty 5.1.4. Criminal law sciences. The dissertation council decided that the dissertation of E.S. Dikaeva is a scientific and qualification work, which is of great importance for the development of criminological science, meets the requirements established by the Regulation on the awarding of academic degrees, as well as on awarding E.S. Dikaeva the academic degree of candidate of legal sciences in the specialty 5.1.4. Criminal law sciences. The article is a review of the official opponent of the dissertation, in which the structure and content of the dissertation research of E.S. Dikaeva are analyzed.
Противодействие коррупции на государственной службе: новый этап развития антикоррупционных стандартов
Authors: Безруков А.В. , Невирко Д.Д.
Published: January 2025

В статье представлен обзор научно-практической дискуссии, состоявшейся в рамках работы международного круглого стола «Противодействие коррупции на государственной службе: новый этап развития антикоррупционных стандартов», организованного кафедрой государственно-правовых дисциплин Сибирского юридического института МВД России.

The article provides an overview of the discussion on the main directions of development of anti-corruption legislation within the framework of the international round table “Combating corruption in the public service: a new stage in the development of anti-corruption standards”, organized by the Department of State Legal Disciplines of the Siberian Law Institute of the Ministry of Internal Affairs of Russia.
Понятие и основные признаки молодежного предпринимательства (часть 2)
Authors: Мостовщиков А.А.
Published: January 2025

Статья является продолжением одноименной публикации (см. журнал «Современное право», 2024, № 11, с. 63—66) и посвящена формированию терминологического аппарата, выявлению характерных признаков, присущих молодежному предпринимательству, изучению законодательства, поиску путей решения проблемных вопросов, с которыми сталкиваются молодые предприниматели. Автор предлагает выделить молодежное предпринимательство в отдельную форму предпринимательства, сформулировать и законодательно закрепить его определение, разработать меры поддержки молодых предпринимателей и законодательно закрепить их.

The article is a continuation of the publication of the same name (see the journal "Modern Law", 2024, No. 11, pp. 63-66) and is devoted to the formation of a terminological apparatus, identification of characteristic features inherent in youth entrepreneurship, study of legislation, search for ways to solve problematic issues faced by young entrepreneurs. The author proposes to single out youth entrepreneurship as a separate form of entrepreneurship, formulate and legislatively enshrine its definition, develop measures to support young entrepreneurs and legislatively enshrine them.
Inalienable Immaterial Human Goods and Human Freedoms/
Authors: Donskoy S.A.
Published: January 2025

This paper develops the definition of human name, and on this basis, discusses a common criterion for immaterial human goods, linking natural and positive law together. The author singles out the following inalienable immaterial human goods: life, ancestry, name, health, knowledge, convictions, will, family, uniqueness, and dignity. Their essence and interdependence with a human being are explained. The described are also their characteristics and the examples of the infringement upon them. It is argued that the list of the inalienable human goods is invariable. With that, the definitions of the sense of law, conscience, discretion and personality are further clarified. The measurable characteristics of the inalienable immaterial human goods are regarded to as human freedoms. The author concludes that the human freedoms are the object for the legal regulation. Further advises to define the recognized inalienable human goods in a declarative international instrument of human rights and also incorporate them in national constitutions.

В данной статье развивается понятие имени человека и на этой основе обсуждается общий критерий нематериальных благ человека, соединяющий естественное и позитивное право. Автором выделены следующие неотчуждаемые нематериальные блага: жизнь, происхождение, имя, здоровье, знания, убеждения, воля, семья, уникальность и достоинство. Поясняется их смысл и взаимосвязь с человеком. Приводятся их характеристики и примеры посягательств на них. Утверждается о закрытости списка всех неотчуждаемых нематериальных благ. Вместе с тем уточняются понятия правосознания, совести, усмотрения и личности человека. Измеримые характеристики неотчуждаемых нематериальных благ отнесены к свободам человека. Делается вывод, что свободы человека являются объектом правового регулирования. Предлагается определить неотчуждаемые нематериальные блага человека в декларативном международном инструменте прав человека и инкорпорировать их в национальные конституции.
THE STYLE MODEL OF RUSSIAN MUSICAL CLASSICS OF THE FIRST HALF OF THE 19TH CENTURY IN THE WORK OF FAR EASTERN COMPOSERS OF THE 20TH AND EARLY 21ST CENTURIES
Authors: LESKOVA TATYANA V.
Published: January 2025

The purpose of the study is to determine the role of the Russian classical style as one of the stylistic foundations in the development of professional music in the Russian Far East. The tasks include defining the concept of a style model, characterising its properties as a specific historical phenomenon of the first half of the 19th century, socio-musical factors that contributed to the productive development of the classical style model in the Far Eastern creativity of the 20th-21st centuries, refraction of its typical features in the most representative works and genre areas, comparative analysis of the production of this model at different stages of the development of Far Eastern creativity. Based on the historical-genetic, comparative- typological methods, the author of the paper indicates a special role of classical sources in the cantata-oratorio genres, song, symphonic suite and miniature, and the great symphony genre of Far Eastern composers. A conclusion is drawn about the fundamental importance of the classical style in the development of professional music in the region.
Inorganic Solid-State Electrolytes in Potassium Batteries: Advances, Challenges, and Future Prospects
Authors: Masese Titus , Kanyolo Godwill
Published: January 2025

Potassium-ion batteries (KIBs) are increasingly attractive owing to their high voltage and low cost. However, the advancement of KIBs has been constrained by challenges related to electrolyte stability and interphase compatibility. Traditional liquid electrolytes pose significant risks, including leakage and flammability, prompting a shift towards solid-state electrolytes, which offer improved energy density, safety, and thermal stability. This Perspective explores the current state of inorganic solid-state electrolytes (entailing oxides, chalcogenides, halides and borohydrides), recent advancements, identifying key challenges, and future research opportunities, with the aim of advancing the development of high-performance all-solid-state potassium batteries.
Nanodiamond synthesis from adamantane by electron-beam driven C–H activation at 100 K
Authors: Fu Jiarui , Nakamuro Takayuki , Nakamura Eiichi
Published: January 2025

Diamond and adamantane (Ad) share a Td-symmetric carbon skeleton, but converting Ad to diamond has been challenging due to selective C–H bond cleavage and monomer assembly into a diamond lattice. Electron irradiation (80–200 keV) of Ad sub-microcrystals in vacuum at 100 K for tens of seconds yielded defect-free nanodiamonds (NDs) of cubic crystal structure 2–4 nm in diameter, accompanied by hydrogen gas evolution. Time-resolved transmission electron microscopy revealed the initial formation of Ad oligomers transforming into spherical NDs. A sizable kinetic isotope effect confirmed C–H cleavage as rate-determining. Other hydrocarbons failed to form NDs, underscoring the unique suitability of Ad. This approach distinctively differs from the conventional high-temperature, high-pressure approach, exemplifying the value of controlled C–H activation for diamond synthesis.
Degradation pathways in lithium-ion batteries with ethylene carbonate-free electrolytes
Authors: Terreblanche Jason S. , Luo Tongjun , Piper Louis F. J. , Dose Wesley M.
Published: January 2025

The development of stable electrolyte solutions is critical for improving the lifetime and performance of lithium-ion batteries (LIBs). Electrolyte instability is a prominent issue with many next-generation electrode materials, such as Ni-rich cathodes, with recent reports identifying ethylene carbonate (EC) as a bad actor at the cathode surface. Herein, electrochemical methods, operando pressure measurements, and post-mortem X-ray and solution NMR studies are combined to investigate electrolyte and interfacial degradation phenomena in Ni-rich LiNi0.8Mn0.1Co0.1O2 (NMC811)/graphite full cells with EC-containing and EC-free electrolytes. One key finding is that the mechanism for improved performance in EC-free electrolyte – 1.5 M LiPF6 in ethyl methyl carbonate (EMC) with 10 wt.% fluoroethylene carbonate (FEC) – arises from improved stability at both electrode-electrolyte interfaces. The EC-free electrolyte is found to suppress lattice oxygen release and reduced surface layer formation at NMC, leading to improved ion transport into the cathode particles, suppressed electrolyte solvent oxidation reactions, less formation and crossover of species that disrupt the graphite solid electrolyte interphase (SEI), and ultimately improved capacity retention. These insights are helpful to understand and mitigate degradation in LIBs with Ni-rich cathodes.
Bridging Oxide Thermodynamics and Site-Blocking: A Computational Study of ORR Activity on Platinum Nanoparticles
Authors: Demeyere Tom , Ellaby Tom , Sarwar Misbah , Thompsett David , Skylaris Chris-Kriton
Published: January 2025

The Oxygen Reduction Reaction (ORR) is a key reaction in fuel cells and metal-air batteries, where high overpotentials remain a critical challenge despite extensive research. While experimental studies have revealed the importance of surface oxidation, a unified computational framework capable of simultaneously capturing both the thermodynamic aspects of rate-determining steps and the kinetic effects of site-blocking on the overpotential has remained elusive. In this work, we present a novel computational approach that bridges this gap by combining grand-canonical Monte Carlo simulations with the MACE-MP-0 foundation model to study the ORR on experimentally reconstructed Pt nanoparticles. This framework enables the systematic investigation of oxidation effects across multiple scales, from atomic-level place-exchange mechanisms to macroscopic kinetic behavior. Our simulations reveal a strong dependence of system thermodynamics on oxygen coverage and successfully predict the place-exchange mechanism onset at 1.06 V vs. SHE, in agreement with experimental observations. Through established scaling relations and deletion energy analysis, we quantify both the rate-determining step and the distribution of reactive sites on the oxidized surface, providing insight into the complex interplay between surface oxidation and ORR activity. By linking our results with both theoretical and experimental benchmarks on multiple points, we ensure the viability of our assumptions and approach. Using a simplified kinetic model derived from our simulations, we demonstrate agreement with core experimental observations, validating the predictive power of foundation models in computational electrochemistry. This work not only provides a comprehensive understanding of oxide effects in ORR but also establishes a versatile computational methodology that can be readily extended to study similar electrochemical processes on other catalytic systems, offering a powerful new tool for rational catalyst design.
Linear-Scaling Quadruple Excitations in Local Pair Natural Orbital Coupled-Cluster Theory
Authors: Jiang Andy , Schaefer III Henry , Turney Justin
Published: January 2025

We present a fast, asymptotically linear-scaling implementation of the perturbative quadruples energy correction in coupled-cluster theory using local natural orbitals. Our work follows the domain-based local pair natural orbital (DLPNO) approach previously applied to lower levels of excitations in coupled-cluster theory. Our DLPNO-CCSDT(Q) algorithm uses converged doubles and triples amplitudes from a preceding DLPNO-CCSDT computation, to compute the quadruples amplitude and energy in the quadruples natural orbital (QNO) basis. We demonstrate the compactness of the QNO space, showing that more than 95% of the (Q) correction can be recovered using relatively loose natural orbital cutoffs, compared to the tighter cutoffs used in pair and triples natural orbitals at lower levels of coupled-cluster theory. We also highlight the accuracy of our algorithm in the computation of relative energies, which yields deviations of sub-kJ mol-1 in relative energy compared to the canonical CCSDT(Q). Timings are conducted on a series of growing linear alkanes (up to 10 carbons and 608 basis functions) and water clusters (up to 49 water molecules and 2842 basis functions), to establish the asymptotic linear-scaling of our DLPNO-(Q) algorithm.
Non-Covalent Molecular Interaction Rules to Define Internal Dimer Coordinates for Quantum Mechanical Potential Energy Scans
Authors: Sharif Suliman , Kumar Anmol , MacKerell Alex
Published: January 2025

Non-covalent interactions (NCI) dominate the properties of condensed phase systems. Towards a detailed understanding of NCI quantum mechanical (QM) methods allow for accurate estimates of interaction energies and geometries, allowing for the contributions of different types of NCI to condensed phase properties to be understood. In addition, such information can be used for the optimization of empirical force fields including the specific contribution of electrostatic versus van der Waals interactions. However, to date the relative orientation of monomers defining molecular interactions of dimers are often based on full geometry optimizations of all degrees of freedom or extracted from known experimental structures of biological molecules. In such cases the spatial relationship of the monomers often lead to multiple atoms in each monomer making significant contributions to the interactions occurring in the dimer confounding understanding of the contributions of specific atoms or functional groups. To overcome this a workflow is presented that allows for systematic control of the interaction orientation between monomers to be performed through the use of molecular interaction rules (MIR) in an extendable tool that can be applied to a broad range of chemical space. Using the “MIR workflow” allows a user to perform automation of the determination of well-defined monomer interaction orientations in dimers using Z-matrices allowing for potential energy scans (PES) to be performed on combinatorial pairs of the monomers. In addition, compiled monomer and dimer geometries and PES data are stored in an extendable database. Illustration of the utility of the workflow is performed based on a collection of 89 monomers encompassing a variety of functional group classes from which 10616 interaction dimers are automatically generated. PES between all dimers were calculated at the QM HF/6-31G*, MP2/6-31G*, and 𝟂b97x-d3/6-31G* model chemistries. In addition, analysis of the benzene dimer in three interaction orientations, a hydrogen bond interaction between azetidinone and N-methylacetamide, and the interaction of pyridine with acetone in the Burgi-Dunitz orientation are presented including results with the aug-cc-pVDZ basis set. Results show the impact of different QM model chemistries on minimum interaction energies and distances over a large ensemble of intermolecular interactions with emphasis on the contributions of dispersion.
Bimetallic Platinum(II) Complexes with Bridging Di-NHC and N^C^C Ligands: Synthesis and Photophysical Properties
Authors: Paredes Mariano , Poveda Dionisio , González-Herrero Pablo , Vivancos Ángela
Published: January 2025

Three new bimetallic Pt(II) compounds of the type [{Pt(N^C^C)}2{μ-(ImMe)2(CH2)n}] [n = 1 (1), 3 (2), 6 (3)], where N^C^C is the dimetalated terdentate ligand 2-(4,4''-dimethyl-[1,1':3',1''-terphenyl]-5'-yl)pyridine and ImMe is N-methylimidazol-N-yl-2-ylidene, have been synthesized in order to explore their ability to form molecular assemblies that affect their luminescence. Restricted rotation through the Pt-carbene bond gives rise to mixtures of stereoisomers, that hinder the obtention of single crystals. The complexes show efficient emissions with high phosphorescence quantum yields in 2 wt % doped PMMA films (PLQY: 73-77%). Significant modifications of their photophysical properties in fluid solution are observed upon variation of the solvent, with the highest efficiencies found in 2-methyltetrahydrofurane (up to 63% for complex 3). In the case of complex 1, which contains the shortest linkage, the formation of excimers in MeCN and MeOH causes a significant quenching of the emission, with a substantial decrease in the quantum yield.
हरियाणा के युवाओं के यूरोप व अमेरिका की तरफ अवैध उत्प्रवास के समाज‌शास्त्रीय दृष्टिकोणों का एक विश्लेषण
Authors: Anil  , Joginder  , Malik Naveen , Singh Kulveer
Published: January 2025

शोध पत्र का मुख्य उद्देश्य भारत से अवैध उत्प्रवास के कारणों और प्रभावों पर चर्चा करना हैं । अवैध प्रवासन एक जटिल प्रक्रिया है, जो विश्वभर में देखी जा रही है । समाजशास्त्रीय अध्ययन के अनुसार प्रवासित बेरोजगार श्रमिकों की सख्या अंतर्राष्ट्रीय प्रवास की ओर बढ़ने लगी है । वर्तमान शोध आर. के. मर्टन के सैद्धांतिक पद्धति पर आधारित है । आर. के. मर्टन ने अपने विसंगति या एनॉमी (नियमहीनता) के सिद्धांत को प्रस्तावित किया है । जिसमे बताया है, कि किसी भी समाज के महत्वपूर्ण सांस्कृतिक लक्ष्य होते हैं, जो आकांक्षात्मक संदर्भ का ढांचा प्रदान करते हैं । जब किसी व्यक्ति ने किसी लक्ष्य को आंतरिक रूप से स्वीकार कर लिया है, और उस लक्ष्य को प्राप्त करने के वैध साधन अवरुद्ध हैं, तो व्यक्ति लक्ष्य को प्राप्त करने के लिए नाजायज साधनों का सहारा लेता है, तो यह नवाचार पद्धति है । विशेष रूप से अंतर्राष्ट्रीय स्तर पर यू. के. और सयुक्त राज्य अमेरिका मे प्रवासित आबादी सीमांत क्षेत्रों मे रहती है । और यह अवैध प्रवासी स्वास्थ्य, रोजगार, शिक्षा और पर्यावरण के लिये खतरा है । अवैध प्रवास को जन्म देने का मुख्य कारण अत्याचार, युद्ध, रोजगार के अवसर, उच्च आय, बेहतर सुविधाए है । प्रवास को समझने और इससे संबधित समस्याओ पर काबू पाने के लिये इस प्रकार का अध्ययन करना महत्वपूर्ण है । क्योंकि अवैध प्रवासन एक समस्या बन गयी है ।
Navigating the third culture: Comparative case studies of Japanese expatriate students in Singapore and factors influencing English language development
Authors: Chang Qizhong , Lim Si Wei
Published: January 2025

This study utilises comparative case studies of three Japanese third-culture kids (TCKs) living in Singapore aged 16, each from a different school type (international school, Japanese school, and local Singapore school). It explores if the home language, language used in school, language used in social circles, and language of media consumed of Japanese TCKs in Singapore are enabling or mitigating factors of their development of English language. This study builds on the framework of TCKs established by Useem et al. (1963) and redefined by Pollock and Van Reken (2001), Dewaele et al.’s (2003) definition of bilingualism, and Tokuhama-Espinosa’s (2000) ten factors of success in raising multilingual children. Language used in school, language used in social circles, language of media consumed, and individual motivation were found to be enabling factors whereas home language was found to be neither an enabling nor mitigating factor. Differing pedagogies were found between different school types. Most of the findings are in line with the literature reviewed.
Mewujudkan Desa Citimun Maju Melalui Kolaborasi Ilmu Teknik Industri Dan Informatika
Authors: Nu'man A Harits
Published: January 2025

Artikel ini membahas pentingnya kolaborasi dalam mengatasi ketidaksetaraan sosial dan mempromosikan keberagaman melalui pendidikan, advokasi, dan keterlibatan masyarakat. Wawasan tentang pemanfaatan teknologi dan inovasi untuk perubahan sosial yang positif didiskusikan, dengan fokus pada sinergi antara Teknik Industri dan Teknologi Informasi di Desa Citimun. Studi kasus  menunjukkan operasi kolaborasi keilmuan Teknik industri dan informatika, mampu meningkatkan efisiensi operasional, mengoptimalkan sistem rantai pasokan, dan mendorong solusi inovatif untuk meningkatkan kualitas produk dan layanan. Berdasar pada investasi  program pelatihan dan inisiatif pengembangan, potensi Desa citimun dapat secara efektif merespons perubahan lingkungan dan mencapai pertumbuhan perekonomian Masyarakat desa Citimun yang berkelanjutan. Pemberdayaan masyarakat melalui kolaborasi di Desa Citimun, menunjukkan potensi untuk meningkatkan produktivitas, inovasi, dan pertumbuhan ekonomi di sumber daya pertanian yang kurang dimanfaatkan. Tindakan kolektif dan kolaborasi sangat penting untuk membangun masa depan yang tangguh dan adil bagi semua individu di era digital yang terus berkembang.
AEDES JAPONICUS: A TENANT INVADER IN THE GREAT SMOKY MOUNTAINS NATIONAL PARK, USA
Authors: Campbell Mackenzie , Mullin Mitch , Connelly Roxanne , Super Paul E. , Byrd Brian D.
Published: January 2025

Invasive organisms may cause ecologic, economic, and public health harm. Aedes japonicus is an invasive mosquito species of known ecologic and public health importance that has widely spread throughout the eastern USA since initially being recognized in Connecticut in 1998. Here, we report the known distributions of Ae. japonicus within the Great Smoky Mountains National Park (GSMNP) since its initial recognition in the park in 2004. From 2006 to 2022, we sampled eggs, larvae, and adult life stages through targeted, haphazard, and convenience collections. Through these efforts, we surveyed 23 (54.7%) of the 42 watersheds within the GSMNP. Aedes japonicus was present in 19 (82.6%) of the sampled watersheds, and the species was confirmed, in some instances, at the same location over multiple years, suggesting it remains entrenched. This species was observed in 45.2% of the GSMNP watersheds at elevations ranging from 347 to 1,478 m. Naturally occurring containers (i.e., riverine rock pools) were common collection sites in this study. The results of our findings are presented in the context of the species distribution within the park, the public health relevance given the GSMNP’s public visitation rate (>12 million annually), potential species interactions, and the persistence of this species over the multiyear study.
Motivating Left-Behind Vocational Students in English Learning through Game-Based Listening Activities: The Interaction between Self-Esteem and Listening Comprehension Skills
Authors: Yu Jinghui , Abdullah Rohaya
Published: January 2025

To enhance the motivation of left-behind vocational students to learn English, exploring innovative ways of learning English suitable for such students. This study investigates the effectiveness of game-based listening activities in improving English language learning among left-behind vocational students in China. Employing a quasi-experimental design, the research examined the impact of the intervention on learning motivation and listening comprehension skills, while considering the moderating effects of self-esteem and various environmental factors. A sample of 198 left-behind vocational students participated in the study, with 99 in the experimental group and 99 in the control group. Results revealed significant improvements in overall motivation (d = 0.79) and listening comprehension skills (d = 0.92) for the experimental group. Notably, intrinsic motivation showed a larger increase (d = 0.85) compared to extrinsic motivation (d = 0.31). Self-esteem was found to moderate the intervention's effectiveness, with higher self-esteem associated with greater improvements. Environmental factors, particularly access to technology and school support, significantly influenced learning outcomes. The study provides evidence for the efficacy of game-based approaches in addressing the unique challenges faced by left-behind vocational students and highlights the importance of considering individual psychological factors and environmental contexts in educational interventions. Future research should focus on the long-term efficacy, scalability, and methods to cater to students with varying levels of self-esteem and environmental support.
Enhancing Medical Collocation Competence through a Lexical-Based Approach on Writing among Saudi EFL Medical Learners
Authors: Amir Ameen Bany , Halim Hasliza Abd
Published: January 2025

The present research aims to evaluate the effectiveness of the proposed lexical approach in improving English Foreign Language (EFL) students’ Lexical knowledge, particularly their ability to use medical collocations in writing within the medical English context. This paper adopted a mixed methods approach; the quantitative data was obtained from a survey conducted on (24) English Foreign Language (EFL) medical learners at Majmaah University, Saudi Arabia, whereas the qualitative data was obtained from interviews with (5) of the participants. The purpose of the study was to identify students’ attitudes toward the benefits and possible difficulties of learning medical collocations. The study establishes their significance in enhancing academic and professional writing as students exhibit adequate motivation to understand medical collocations. However, the study points out the following limitations including inadequate perceptions of culture and lack of practice as key barriers that affect its acquisition. The study suggests that several changes should be made in the context of medical ESP curricula, including systematic instruction in medical collocations, as well as offering the students authentic practice in using knowledge gained throughout the process. Through this study, a noble contribution is provided to the field of applied linguistics since medical collocations are viewed as an impactful method of enhancing EFL learners’ performance in medical English and as a result strengthens their academic and professional oral and written communication abilities as well.