bluuebunny/crossref_metadata_2025 huggingface dataset:
Формирование интеллектуального потенциала предприятия на основе управления человеческими ресурсами
Authors: С.В. Ильченко , Л.Э. Дубаневич , А.И. Роков
Published: November 2024

Актуальность исследования вопросов формирования и использования интеллектуального потенциала на уровне предприятия обусловлена высокой ролью интеллектуальных ресурсов в создании конкурентных преимуществ и достижении рыночного лидерства. Человеческие ресурсы являются ключевым компонентным элементом интеллектуального потенциала, что позволяет строить модели управления, направленные на повышение отдачи от человеческого капитала конкретного предприятия. Цель статьи заключается в рассмотрении процессов управления человеческими ресурсами в контексте создания интеллектуального потенциала предприятия. Для этого предлагается рассмотреть систему интеллектуального потенциала с капиталообразующей и ресурсной составляющими, а также отметить место в ней корпоративного управления человеческими ресурсами (HR-системы). Авторами отмечено, что человеческие ресурсы являются наиболее весомым компонентным элементом не только интеллектуального развития, но и поступающего инновационного развития, определяющего от 40 до 80% получаемых экономических эффектов. На основе анализа и синтеза материалов исследования возможно сформировать практический аппарат управления человеческими ресурсами на конкретном предприятии, создав благоприятные условия для роста интеллектуализации предприятия.
ЦИФРОВЫЕ ТЕХНОЛОГИИ В ТРАНСФОРМАЦИИ АРХИТЕКТУРЫ ЭКОНОМИЧЕСКОГО ПРОСТРАНСТВА: ПЕРСПЕКТИВЫ И УГРОЗЫ
Authors: Т.С. Колмыкова , Д.С. Садоян , Р.В. Грибов
Published: November 2024

Актуальность исследования определяется стремительным развитием и активным распространением цифровых технологий. В статье рассмотрены специфические особенности Интернета вещей как одной из ключевых технологий, меняющих архитектуру экономического пространства. Появление новых способов взаимодействия людей с окружающими их вещами прокладывает путь для повсеместного распространения коммуникационно-вычислительной инфраструктуры, поддерживающей возможности оказания цифровых услуг. Цель проведенного исследования заключается в изучении перспектив развития Интернета вещей и анализа безопасности использования данной технологии. Задачи исследования представлены: разработкой теоретического представления о технологии Интернета вещей; анализом развития данной технологии в различных сферах жизнедеятельности человека; выявлением тенденций развития Интернета вещей и безопасности использования. Методология включает обзор концепций, посвященных развитию технологии Интернета вещей, а также интерпретацию аналитических данных о динамике внедрения данной технологии в различные сферы деятельности человека. Результаты исследования показывают, что ключевая идея, заложенная в основу концепции Интернета вещей, заключается в развертывании огромного числа интеллектуальных объектов, способных воспринимать окружающую среду, анализировать ее и обеспечивать с ней обратную связь. Выводы по результатам исследования свидетельствуют о том, что Интернет вещей представляет собой новую информационную парадигму, обеспечение безопасности применения которой является серьезной технической задачей для современного общества.
ПРОВЕРКА КОНТРАГЕНТА В СИСТЕМЕ ЭКОНОМИЧЕСКОЙ БЕЗОПАСНОСТИ ПРЕДПРИЯТИЯ
Authors: Л.В. Пушкарева
Published: November 2024

Аннотация Каждый хозяйствующий субъект, заключающий сделки с другими физическими или юридическими лицами для достижения целей своей предпринимательской деятельности, непрерывно подвержен воздействию рисков со стороны неблагонадежного партнерства, так как не каждый контрагент готов добросовестно выполнять принятые им согласно договору обязательства. Последствия от реализации возможных рисков могут понести за собой непоправимый ущерб предприятию и навредить его целостности.
АНАЛИЗ И ТЕНДЕНЦИИ РАЗВИТИЯ ПРОМЫШЛЕННОЙ СФЕРЫ НИЖЕГОРОДСКОЙ ОБЛАСТИ
Authors: В.В. Авдонькина
Published: November 2024

Моделирование тенденций развития  промышленного комплекса   в современных условиях требует новых подходов и методов, соответствующих изменившимся условиям осуществления хозяйственной деятельности. Промышленность как ведущая отрасль материального производства, занимает центральное  место в экономике Российской Федерации и играет ключевую роль в процессе восстановления экономического потенциала страны. Автором проанализировано современное состояние промышленной сферы Нижегородской области с использованием методики расчета интегрального показателя и  была произведена  классификация и соотнесение интегральной оценки состояния промышленной сферы региона по группам, характеризующим возможности развития производства. По результатам анализа, автором выделены ключевые проблемы, сдерживающие развитие промышленной сферы региона.
МЕТОДЫ ОЦЕНКИ ЗЕМЕЛЬНЫХ УЧАСТКОВ
Authors: С.А. Ли , Е.В. Григораш , А.С. Середина
Published: November 2024

Данная статья посвящена рассмотрению особенности земельного участка в качестве объекта оценки. Ведь в отличии от многих объектов недвижимости земельный участок нельзя воспроизводить, он ограничен в своем объеме, имеет уникальные характеристики, которые формируют его стоимость. Оценка стоимости любого вида недвижимости основывается на принципах, таких как принцип полезности, принцип ожидания, принцип спроса и предложения и так далее. И каждый из существующих подходов к оценке, а именно сравнительный, доходный и затратный, имеет в своей основе такие положения. Огромное количество факторов, влияющих на ценность земельного участка, имеют значение и в выборе подходов и методов оценки. Сравнительный подход обычно применяется при развитости рынка земли, что позволяет собрать исчерпывающую информацию об объектах-аналогах. Затратный подход предполагает определение стоимости земельного участка исходя из ожидаемого потока доходов от него, поэтому его использование обязывает проводить сложный экономический анализ для определения нормы капитализации. Определение стоимости замещения или стоимости восстановления стоит в основе затратного подхода, который применяется из-за недостатка рыночной информации. Также в статье описаны источники информации необходимые для сбора рыночной и экономической информации о рынке земельных участков, совершенных сделок с ними. Описан процесс оценки стоимости земельного участка, который состоит из выбора цели оценки, сбора и анализа информации, анализа наиболее эффективного использования, расчет самой стоимости на основе подходов к оценке и подготовка отчета.
ОРГАНИЗАЦИОННО-ЭКОНОМИЧЕСКИЙ МЕХАНИЗМ ПРОСТРАНСТВЕННОГО РАЗМЕЩЕНИЯ ПРЕДПРИЯТИЙ ЛЕСНОГО СЕКТОРА РОССИИ
Authors: О.Е. Никонец , Н.П. Кожемяко , С.Н. Дзукрятченко
Published: November 2024

Рассматривается методический инструментарий формирования кластерной организации пространственно-локализованных систем лесного сектора региона. Обосновываются преимущества кластерного похода, как основа для дальнейших исследований кластерного взаимодействия в пространственно-локализованной системе региона. Выявляются факторы, определяющие успешность процесса кластеризации и факторы, препятствующие процессу кластеризации лесного комплекса. На основе обобщения российского и зарубежного опыта предлагается организационно-экономический механизм пространственного размещения предприятий лесного сектора  и инструментарий определения эффективности пространственного размещения предприятий лесного сектора.
ФУНДАМЕНТАЛЬНЫЕ АСПЕКТЫ УПРАВЛЕНИЯ КОРПОРАТИВНЫМИ ФИНАНСАМИ КОМПАНИИ В УСЛОВИЯХ ЦИФРОВИЗАЦИИ ЭКОНОМИКИ
Authors: О.И. Кашина
Published: November 2024

Исследование посвящено формированию фундаментальных аспектов развития управления корпоративными финансами в условиях цифровой экономики с учетом мирового опыта и возможностей современных цифровых инструментов. Обобщены и сформулированы принципы управления финансами организации и новые вызовы в данной сфере в разрезе ключевых областей финансового менеджмента. Систематизированы цифровые технологии, которые могут быть интегрированы в управление финансами компании в разрезе их видов, а также решаемых задач и возможностей в области финансового управления компанией. Исследованы взаимосвязи показателей уровня цифровизации и глобальной конкурентоспособности различных стран с использованием методов математической статистики. На основе результатов ранжирования стран в соответствии с индексами цифровой конкурентоспособности, инноваций и глобальной конкурентоспособности были установлены определенные закономерности.
Влияние COVID-19 на транснациональные корпорации
Authors: Я. Цзэн
Published: November 2024

Трансформационные изменения в глобальном экономическом пространстве и наднациональная интеграция экономических процессов привели к образованию и повсеместному распространению макровлияния транснациональных корпораций (ТНК). Роль ТНК в мировой экономике непрерывно возрастает, создавая возможности и барьеры для национальных экономик и инновационного преобразования социально-экономических систем. Неблагоприятная эпидемиологическая обстановка в 2020-2021 гг. привела к серьезным перестановкам в корпоративном сегменте, что затронуло и ТНК. В статье предлагается рассмотреть проблему влияния пандемии коронавируса (COVID-19) на функционирование ТНК. Для этого был проведен теоретический обзор поставленной проблемы и рассмотрены статистические данные из открытых источников. Были выделены следующие тенденции: ТНК обладают более высокой устойчивостью и финансовыми возможности по сравнению с национальными компаниями, что позволило им занять новые рынки и развить производство в текущее нестабильное время; самоизоляция и транспортно-логистические ограничения привели к переходу корпоративного сегмента в цифровое пространство. В результате статьи был сделан вывод, что несмотря на нестабильную эпидемиологическую обстановку, негативно отразившейся на состоянии всех секторов экономики, наблюдается усиление влияния ТНК.
ВЛИЯНИЕ ТУРИСТИЧЕСКИХ ДЕСТИНАЦИЙ КРЫМА НА РАЗВИТИЕ ЭКОНОМИКИ РЕГИОНА
Authors: Э.А. Хаирова , С.Н. Аблязова
Published: November 2024

Актуальность исследования обусловлена развитием экономики Крымского региона в виду исторических традиций и природно-ресурсного потенциала в туристско-рекреационной сфере. С каждым годом количество туристов, которые посещают Крым, постепенно возрастает, так как в регионе есть для этого все предпосылки. В Крыму развивается множество видов туризма: культурно-познавательный, событийный, спелеотуризм, историко-археологический, лечебно-оздоровительный, горно-лесной и водный. Соответственно, можно предположить, что ресурсы дестинации, ее положительный имидж – главная мотивация к путешествию, повод для путешествия. В статье исследовано влияние туристических дестинаций Крыма на развитие экономики региона. Проанализирована динамика и объем инвестиции в сектор туризма РК, 2017-2020 гг. Изучена структура ВРП Республики Крым по видам экономической деятельности. Также рассмотрен вопрос, касающийся транспортной доступности Республики Крым для туризма. Большое внимание уделяется вкладу туристической отрасли в экономику Крыма, 2017-2020 гг. Проведено сравнение цен на туры в Республику Крым и Турцию на неделю с вылетом из Москвы, 2020 г. Кроме того, авторами проанализированы средние заработные платы в Крыму в сфере туризма на 2021 г.
ПРИМЕНЕНИЕ ЭКОНОМИЧЕСКИ ЗНАЧИМОЙ ИНФОРМАЦИИ В ПРОЦЕССЕ УРЕГУЛИРОВАНИЯ ПРОБЛЕМНОЙ ЗАДОЛЖЕННОСТИ
Authors: Н.В. Тарасова
Published: November 2024

Статья посвящена такой актуальной теме, как поиск и применение экономически значимой информации в процессе урегулирования проблемной задолженности. Рост объема проблемной задолженности для кредитной организации является угрозой ее экономической безопасности и всей банковской системы в целом. Автором рассмотрены методы урегулирования проблемных кредитов. Выделено понятие экономически значимой информации и раскрывается ее особая роль для стабильного функционирования системы урегулирования проблемной задолженности в деятельности кредитных организаций.  Отмечено, что урегулирование большинства проблемных долгов реализуется в условиях высокой степени неопределенности. Работа с всевозможными данными о должнике, поможет подобрать метод и ускорить процесс урегулирования задолженности. Практика применения экономически значимой информации для урегулирования проблемной задолженности, продемонстрирована на примере деятельности системно значимых банков.
КЛАСТЕР КАК ИНТЕГРАЦИОННАЯ ФОРМА ХОЗЯЙСТВУЮЩИХ СУБЪКТОВ: СХОЖИЕ ЧЕРТЫ И ОТЛИЧИТЕЛЬНЫЕ ХАРАКТЕРИСТИКИ
Authors: А.А. Абдурахманов
Published: November 2024

Производственная интеграция, основанная на сближении и объединении предприятий, позволяет укреплять их конкурентные позиции на рынке и  достигать более значимых экономических результатов. Целью статьи является исследование основных характеристик кластеров как одной из современных форм интеграционных формирований, их отличительных и схожих черт с другими формами хозяйственных объединений.  Делается вывод о том, что целью их формирования является возникновение не только частных эффектов, но и региональных. Именно поэтому кластеры часто рассматриваются как действующий инструмент региональной политики. Кроме того, в отличие от других форм интеграции, в кластерах кооперации сопутствует конкуренция, что делает их проводником инноваций в регионах.
“Thank God, He Didn’t Answer My Prayer!” (Failed) Healing as Boundary Maintenance
Authors: Kovac Ariane
Published: November 2024

Divine healing is an emotionally and theologically conflictive field where actors communicate positions and draw boundaries by engaging in certain practices and renouncing others. In this article, I analyse how a progressive evangelical megachurch, faced with the dominance of conservative evangelicalism, uses healing and the failure of healing for boundary maintenance and identity construction. Drawing on ethnographic field research, interviews, and the analysis of sermons, I argue that the church develops and communicates its position in the evangelical field by developing and presenting healing practices that directly address the supposed shortcomings of other evangelical churches. To achieve this, the church makes failed healing an integral part of religious practice and encourages its followers to speak openly about this failure while continuously managing their expectations.
Beta-Thioamide Sulfone enabled Copper-Catalyzed Ring-Opening/Sulfonylation of Cyclopropenes: Access to Alkyl Aryl Sulfones
Authors: Ali Arshad , Chung Cherry , Wang Jingru , Liu Lang , Wang Chongyuan , Liu Yidong , Yin Qin , Lin Shaoquan
Published: November 2024

Sulfone motifs play important roles in bioactive compounds and functional materials. The development of efficient methodologies for constructing sulfonyl-containing compounds has thus attracted considerable attention. Here, we introduce a protocol for the preparation of alkyl aryl sulfones under mild conditions. This protocol employs -thioamide sulfone as a novel sulfone motif donor. It forms sulfinates in situ under basic conditions, which then undergo cross-coupling with the intermediates that were generated from ligand-free copper-catalyzed cyclopropenes (CPEs) ring-opening.
Revealing Water Structure at Neutral and Charged Graphene/Water Interfaces through Quantum Simulations of Sum Frequency Generation Spectra
Authors: Rashmi Richa , Balogun Toheeb O , Azom Golam , Agnew Henry , Kumar Revati , Paesani Francesco
Published: November 2024

The structure and dynamics of water at charged graphene interfaces fundamentally influence molecular responses to electric fields, with implications for applications in energy storage, catalysis, and surface chemistry. Leveraging the realism of the MB-pol data-driven many-body potential and advanced path-integral quantum dynamics, we analyze the vibrational sum-frequency generation (vSFG) spectrum of graphene/water interfaces under varying surface charges. Our quantum simulations reveal a distinctive dangling OH peak in the vSFG spectrum at neutral graphene, consistent with recent experimental findings yet markedly different from earlier studies. As the graphene surface becomes positively charged, interfacial water molecules reorient, decreasing the intensity of the dangling OH peak as the OH groups turn away from the graphene. In contrast, water molecules orient their OH bonds toward negatively charged graphene, leading to a prominent dangling OH peak in the corresponding vSFG spectrum. This charge-induced reorganization generates a diverse range of hydrogen-bonding topologies at the interface, driven by variations in the underlying electrostatic interactions. Re- markably, these structural changes extend into deeper water layers, creating an unequal distribution of molecules with OH bonds pointing toward and away from the graphene sheet. This imbalance amplifies bulk spectral features, underscoring the complexity of many-body interactions that shape the molecular structure of water at charged graphene interfaces.
Structural Characterisation and Dynamics of a Paramagnetic {Cr12Ni3} Seahorse in Non-Crystalline Phases
Authors: Geue Niklas , Hicks Emily , Lockyer Selena J. , Nawaz Selina , Churchill Olivia , Whitehead George F. S. , Timco Grigore A. , Burton Neil A. , Barran Perdita E. , Winpenny Richard E. P.
Published: November 2024

The complex [{Ni(cyclen)}2Cr12NiF18(O2CtBu)24] (where cyclen = 1,4,7,10-tetrazacyclododecane) crystallises as a fifteen-metal chain that is shaped like a seahorse. Given this is one of the longest finite, paramagnetic chains found, we were intrigued whether this unusual structure is induced during crystal growth or also maintained in other phases. We report electron paramagnetic resonance spectroscopy, small angle X-ray scattering and atomistic molecular dynamics simulations, demonstrating that the S-structure from crystal is stable in powder and solution. Using ion mobility mass spectrometry (IM-MS), we revealed the coexistence of S-shaped structures and a closed isomeric assembly in the gas phase. Collision-induced dissociation mass spectrometry studies monitored by IM-MS show the rearrangement of the cyclic seahorse to the S-shaped conformation, as well as the dissociation to a cyclic, seven-metal complex.
Irradiation of azo dyes and gold nanoparticles: beware of pitfall!
Authors: Mousseau Fanny
Published: November 2024

Azo dyes are well known chemicals used by the textile industry and found in wastewater. Promising solutions to degrade dyes in polluted water are based on radiation techniques. In this work, the discolouration and degradation of the three azo dyes Blue Evans, Tropaeolin O, and Procion Red have been studied as a function of the gamma irradiation dose. We quantified the discolouration of the dyes by spectroscopy and characterized the associated dye degradation by chromatography. In addition, we performed a mechanistic investigation, that indicated that both the hydroxyl radical and the solvated electron were involved in the dye degradation. We then added gold nanoparticles to the dye solutions as they are known to increase the radical production during radiolysis. Unexpectedly, an overall apparent decrease of sensitization was observed. We pointed out that the gold nanoparticles potentially had an enhancement effect but that it is probably limited on molecules adsorbed on their surface, de facto inducing the protection of the dyes in the bulk. Our results thus underline the need for in-depth physicochemical characterization of the complex system made up of dyes and nanoparticles before and after irradiation to avoid misleading observations of the effects induced by nanomaterials on the dye degradation.
Modelling Heterogeneous Catalysis using Quantum Computers: An academic and industry perspective
Authors: Hariharan Seenivasan , Kinge Sachin , Visscher Lucas
Published: November 2024

Heterogeneous catalysis plays a critical role in many industrial processes, including the production of fuels, chemicals, and pharmaceuticals, and research to improve current catalytic processes is important to make chemical industry more sustainable. Despite its importance, the challenge of identifying optimal catalysts with the required activity and selectivity persists, demanding a detailed understanding of the complex interactions between catalysts and reactants at various length and time scales. Density functional theory (DFT) has been the workhorse in modelling heterogeneous catalysis for more than three decades. While DFT has been instrumental, this review explores the application of quantum computing algorithms in modelling heterogeneous catalysis, which could bring a paradigm shift in our approach to understanding catalytic interfaces. Bridging academic and industrial perspectives, focusing on emerging materials such as multi-component alloys, single-atom catalysts, and magnetic catalysts, we delve into the limitations of DFT in capturing strong correlation effects and spin-related phenomena. The review also presents important algorithms and their applications relevant to heterogeneous catalysis modelling, showcasing advancements in the field. Additionally, the review explores embedding strategies where quantum computing algorithms handle strongly correlated regions, while traditional quantum chemistry algorithms address the remainder, offering a promising approach for large-scale heterogeneous catalysis modelling. Looking forward, ongoing investments by academia and industry reflect a growing enthusiasm for quantum computing's potential in heterogeneous catalysis research. The review concludes by envisioning a future where quantum computing algorithms seamlessly integrate into research workflows, propelling us into a new era of computational chemistry and thereby reshaping the landscape of modelling heterogeneous catalysis.
The Effect of Viologen Counterions on the Topologies of La(III)–Tetraoxolene Coordination Frameworks
Authors: Feng Yuying , van Koeverden Martin , Hua Carol
Published: November 2024

Lanthanoid containing coordination polymers have attracted significant attention due to their potential application in photoluminescence, high-density information storage, and chemical sensing. Controlling the connectivity of the frameworks is a crucial goal, as both the physical and chemical properties of these compounds are closely related to their network topologies. Two viologen cations have been investigated for their structure directing effects in the synthesis of La(III)–tetraoxolene frameworks containing F, Cl and Br substituents. The framework topologies obtained demonstrate the potential for viologen cations to influence the structure of the La–tetraoxolene coordination polymers through non-covalent interactions.
Interface Effects on Crystal Growth and Li Ion Dynamics in Sulfide Glass-Ceramics
Authors: Fukuda Kazuki , Utsuno Futoshi , Matsuo Aoto , Ohkubo Takahiro
Published: November 2024

Glass-ceramics are promising materials for use as solid electrolytes in all-solid-state batteries because of their high Li+ conductivity. This study investigated an interfacial model for glass-ceramics consisting of 75Li2S-25P2S5 glass and beta-Li3PS4 with seven different beta-Li3PS4 planes using molecular dynamics simulations. The equilibrated structure at 300 K and crystal growth at 500 K were analyzed in terms of interfacial enthalpy and crystallization rates. A novel method for identifying PS43- units as either glassy or crystalline was established based on the rotational motion of PS43- units. The rotational motion of PS43- units in the interfacial model was quantitatively indexed using sulfur trajectories within a 100 ps time window. The crystallization rate calculated using crystal growth simulations was found to depend on the crystalline plane forming the interface. The predicted crystal shape, derived from the interfacial enthalpy and growth rate, was analyzed using Wulff's theorem. The Li+ diffusivity in the crystalline, glassy, and interfacial regions of the interfacial model was evaluated through the time integration of velocity--velocity autocorrelation functions. Notably, the Li+ diffusivity in the crystalline regions varied depending on the interfacial model and differed from that of bulk beta-Li3PS4. This variation was attributed to differences in the degree of PS43- rotational motion in the crystalline regions of the interfacial model. The analytical methodologies developed in this study and the insights into the effects of interfaces on PS43- rotational motion, make valuable contributions to the understanding and design of glass-ceramics with interfaces.
Carbon-Carbon Double Bonds with a Covalent σ and an Ionic p-Bond in Anti-Bredt Olefins
Authors: Yasir Mehboob Muhammad , Masoumifeshani Emran , Foroutan-Nejad Cina
Published: November 2024

In the universe of chemical bonds, a spectrum stretches from the almost purely ionic to the perfectly covalent. Yet, amid this intricate zoo of possibilities, one elusive creature remains unseen: a mixed chemical double bond where a covalent σ-bond partners with an ionic p-framework. Using state-of-the-art first-principles computations, we introduce a series of molecules in which adjacent σ-bonded carbon atoms at the branching site and the one-carbon bridge of certain bicyclo-bridged olefins form a stable carbanion-carbocation pair instead of an anti-Bredt π-bond or a diradical. We propose the term ionic p-bond to describe this phenomenon, as the bond involves two neighboring, primarily p-based orbitals accommodating a cation and an anion in close proximity. The formation of stable ionic p-bonds relies on two key factors: the stabilization of the cation on the one-carbon bridge through strongly electron-donating substituents, and the stabilization of the anion via pyramidalization of the branching carbon. This stability is further reinforced by electron-withdrawing groups substituting the molecule's σ-skeleton.
Collective Coordinates and Facilitated Conformational Opening during Translocation of Human Mitochondrial RNA Polymerase (POLRMT) from Atomic Simulations
Authors: McElhenney Shannon , Yu Jin
Published: November 2024

Collective coordinate (CV) identification is challenging in complex dynamical systems. To study translocation of a single-subunit RNA polymerase (RNAP) during human mitochondrial transcription, we employed all-atom molecular dynamics (MD) as a vehicle to illustrate CV refinement in conformational samplings and dimension reduction analyses. The RNAP translocation is an essential mechanical step of the transcription elongation that dictates gene expression. The translocation generally follows from polymerization product release and proceeds to initial binding or pre-insertion of incoming nucleotides. The human mitochondrial DNA-dependent RNAP (or POLRMT) plays a critical role in cellular metabolism and can be a key molecular off-target in the design of nucleotide analogue antiviral and antitumor drugs due to its structural similarities with many viral RNAPs or RNA dependent RNA polymerases (RdRps). While POLRMT shares particularly high structural similarity with bacteriophage T7 RNAP, previous experimental studies and our current simulations suggest that POLRMT’s mechano-chemical coupling mechanisms may be distinct. In our current work, we modeled POLRMT elongation complexes and performed equilibrium MD simulations on the pre- and post-translocation models, with extensive samplings around different potential translocation paths (with or without coupling to the fingers subdomain conformational change). We then compared time-lagged independent component analysis (tICA) and the neural network implementation of the variational approach for Markov processes (VAMPnets) as dimensional reduction methods on selected atomic CV sets to best represent the sampled data from the MD simulations. Our results indicate that POLRMT translocation is likely coupled with and facilitated by NTP binding to enable fingers subdomain opening at post-translocation which would otherwise be non-stabilized, or the translocations may proceed in futile without leading to the fingers opening for incoming NTP initial binding or incorporation. The timescale of the NTP binding-coupled or facilitated translocation reaches over hundreds of microseconds as predicted by the VAMPnets analyses. Such a timescale seems to match a last post-catalytic kinetic step suggested for the POLRMT elongation cycle by previous experimental detections. By inclusion of NTP binding/catalytic motifs into the analyses, the predicted time scale slightly increases as if additional protein dynamics related to NTP binding activities are considered. Thus, our MD simulation studies combining CV refinements and dimension reduction analyses on top of extensive conformational samplings suggest a distinct mechano-chemical coupling mechanism of POLRMT translocation as if the Brownian motions are slightly assisted by NTP binding.
Learning kinetics from non-ideal reactors by implicitly solved finite volumes and global reaction neural networks
Authors: Kircher Tim , Votsmeier Martin
Published: November 2024

The digitalization of chemical research and industry generates large amounts of data, offering new opportunities for developing and parameterizing kinetic models. Leveraging this data requires machine learning techniques capable of autonomously extracting kinetics from reactor datasets. Recently, neural ordinary differential equations (neural ODEs) were coupled with reactor models to learn kinetics from ideal reaction systems, such as plug-flow reactors. However, real reactor set-ups commonly feature non-idealities such as heat- and mass transfer limitations, described by partial differential equations (PDEs) or differential-algebraic equations (DAEs). Discretizing such non-ideal PDE or DAE reactor models by finite volumes yields algebraic balance equations, which are solved by numerical schemes. In this work, we propose to learn kinetics from non-ideal reactor data using these balance equations and implicit neural networks, avoiding expensive backpropagation through the numerical solution by utilizing the implicit function theorem. The approach is demonstrated for the example of a mass transfer limited flat plate reactor for the preferential catalytic oxidation of CO. We show that Global Reaction Neural Networks, embedding thermodynamic and stoichiometric prior knowledge, coupled with a discretized two-phase CSTR cascade reactor model extract intrinsic kinetics from 50 integral reactor experiments. These kinetics generalize to new reactor geometries, where kinetics obtained by neural ODEs fail. Further, the approach is robust, recovering accurate kinetics even when training data is perturbed by 10% Gaussian noise. We expect that combining neural network-based kinetics with non-ideal reactor models will broaden the scope of kinetic model discovery and improve access to accurate kinetic models.
ANALISIS KEMAMPUAN KOMUNIKASI MATEMATIK SISWA DITINJAU DARI SELF EFFICACY
Authors: Sibarani Sari Ayu , Fauzi Kms Muhammad Amin , Sitompul Pardomuan , Hasratuddin Hasratuddin , Rajagukguk Waminton
Published: November 2024

Penelitian ini bertujuan untuk menganalisis kemampuan komunikasi matematik siswa ditinjau dari self efficacy. Jenis penelitian ini adalah penelitian deskriptif dengan pendekatan kualitatif. Pengambilan subjek penelitian dialakukan dengan memberikan angket self efficacy kepada siswa kelas VII SMP Negeri 2 Siborong-borong, selanjutnya pengumpulan data dilakukan melalui tes kemampuan komunikasi matematik materi sistem persamaan linier dua variabel (SPLDV) ini diberikan kepada 6 subjek serta tes wawancaraKomunikasi matematik sangat penting dalam menyelesaikan masalah dalam matematika. Namun, pencapaian komunikasi matematik pada siswa masih tergolong rendah. Hal ini berkaitan dengan self efficacy pada siswa. Jenis penelitian ini adalah penelitian deskriptif dengan pendekatan kualitatif. Hasil penelitian kemampuan komunikasi matematik siswa ditinjau dari self efficacy yaitu subjek menunjukkan hasil yang berbeda-beda. Berdasarkan hasil analisis hasil tes secara lisan dan tulisan dari 4 indikator kemampuan komunikasi matematis , ada subjek dengan self efficacy tinggi yaitu SET1 dapat memenuhi 4 indikator dari 4 indikator kemampuan komunikasi matematis, sedangkan subjek SET2 hanya mampu memenuhi 2 indikator, selanjutnya subjek sedang yaitu Subjek SES1 mampu memenuhi 3 indikator dan subjek SES2 hanya mampu memenuhi 2 indikator, serta subjek dengan self efficacy rendah yaitu SER1 dan SER2 tidak mampu memenuhi indikator apapun dari 4 indikator kemampuan komunikasi matematik. Sehingga dapat disimpulkan bahwa tingkat self efficacy tidak selamanya berbanding lurus dengan kemampuan komunikasi matematika, tetapi self efficacy yang tinggi terhadap matematika akan mempengaruhi meningkatnya kemampuan komunikasi matematik siswa karena dapat membuat siswa memiliki sikap positif terhadap matematika dalam menyelesaikan permasalahan matematika.
Design of survey to evaluate the core industrial ecosystem of lean, health and safety, quality, and organisational culture
Authors: Lee Kongting , EARL Anna , TAYLOR Malcolm , ZHANG Yilei , PONS Dirk
Published: November 2024

Context: Efficient industrial operations require the integration of lean practices, quality systems, safe methods of work, and a supportive organisational climate.
Need: There is a need to manage work-related risks and ensure the safety and well-being of workers while maintaining operational efficiency and quality.  While surveys exist for each of these facets and may be used to evaluate performance, there is no integrated survey of the core industrial ecosystem.  
Objectives: The objective was to develop a survey to measure the adoption of effective work practices- lean methodologies, the presence of health and safety in the workplace, the effectiveness of quality systems, and the role of organisational support and culture.
Method: The survey combines extracts from existing surveys with new questions created to capture all the research objectives.
Outcomes: A composite survey was designed to measure workers’ perspectives of lean practices, occupational and health system, quality systems, and organisational support and culture. This is original as there is no holistic survey instrument for this in the literature.
Exposure to dust and bioaerosols at GB municipal waste handling sites
Authors: Keen Christine , Sandys Vince , Crook Brian
Published: November 2024

Background
Municipal waste in Britain contains organic matter.  Handling this material can risk exposure to substances, including airborne dust and bioaerosol (airborne fungi, bacteria and their cellular components) that can impair human respiratory health. This paper combines the main findings of a series of studies conducted by the Health and Safety Executive in Great Britain to assess exposure to bioaerosols in various facilities processing municipal waste.
Methods
Site visits were conducted by a team of occupational hygienists and microbiologists. The key aims of the site visits were to quantify exposures to airborne dust and bioaerosol, to assess how waste processing methods and working practices contributed to worker exposure and to assess the effectiveness of exposure controls. Exposure measurement visits were conducted at materials recovery facilities (MRFs), waste transfer stations (WTS) and mechanical and biological treatment plants (MBTs).
Findings
High bioaerosol exposures, including endotoxin and Aspergillus fumigatus, both of which are associated with specific respiratory health conditions, were measured for several work activities. Higher risk tasks included work around unenclosed, high energy mechanical waste processing plant, cleaning operations using compressed air and high-pressure water jetting and hand sorting of waste at MRFs.
Conclusions
The higher exposures measured during this work could be reduced by increased sorting of waste at source to separate out food waste, a significant source of contamination in unsorted waste, improved plant design to provide greater containment of automated processes, targeted use of well-designed and suitably maintained LEV systems where practical and the adoption of low dust cleaning techniques.
Advances in the Prevention and Nursing Care of Venous Thromboembolism After Bone Tumor Surgery
Authors: Liu Jiajia , Lu Xuemei , Fu Yue , Shi Yanyan , Yang Huajie
Published: November 2024

Venous thromboembolism (VTE) is a significant complication that poses a serious threat to the health of patients following bone tumor surgery. Although bone tumors are relatively rare, they are highly malignant, and the risk of VTE in postoperative patients is increased due to various factors. This article aims to review the latest advancements in the prevention and nursing care of VTE after bone tumor surgery, providing a comprehensive theoretical foundation for clinical practice. The findings aim to optimize preventive and nursing strategies for postoperative VTE and improve the quality of patient outcomes.
The Role of High Expression of BECN1 and CD68 in Prognostic Evaluation for Colorectal Cancer Patients
Authors: Zhang Yan , Sheng Wenjiong , Han Yuhui , Liu Xiuxin , Ma Yanchao
Published: November 2024

Objective: To explore the changes in the expression of autophagy-related protein BECN1 and tumor-associated macrophage marker CD68 in colorectal cancer and investigate their association with clinicopathological features and prognosis in colorectal cancer patients. Methods: Sixty colorectal cancer patients were selected as study subjects. Immunohistochemistry was used to detect the expression of BECN1 and CD68 in both colorectal cancer tissues and adjacent non-cancerous tissues. Based on immunohistochemistry results, patients were divided into a BECN1 high-expression group (33 cases) and low-expression group (27 cases) and a CD68 high-expression group (33 cases) and low-expression group (27 cases). Survival rates and survival times of the two groups were compared using the Kaplan-Meier survival curve and Log-Rank test. The correlation between BECN1 and CD68 expression in colorectal cancer tissues was analyzed. RT-qPCR was employed to examine changes in macrophage-associated markers after BECN1 interference. Results: Expression levels of BECN1 and CD68 in colorectal cancer tissues were significantly higher than those in adjacent tissues and were positively correlated with the TNM stage. Survival analysis showed that patients in the BECN1 and CD68 high-expression groups had shorter overall survival compared to those in the low-expression group (P < 0.05). BECN1 and CD68 levels in colorectal cancer patients were positively correlated (P < 0.001). BECN1 interference markedly reduced the expression of macrophage markers and decreased M2 polarization. Conclusion: Abnormal expression of BECN1 and CD68 in colorectal cancer patients is associated with TNM stage and poor prognosis, suggesting that BECN1 and CD68 can serve as important indicators for postoperative prognostic evaluation.
Hubungan Peranan Penyuluh Pertanian dengan Keberdayaan Kelompok Tani di Kecamatan Paranggupito, Kabupaten Wonogiri
Authors: Ainulia Afifah Nindya , Suwarto Suwarto , Anantanyu Sapja
Published: November 2024

Keterbatasan jumlah penyuluh pertanian menjadi salah satu masalah dalam kelompok tani. Peran penyuluh pertanian sangat diperlukan dalam memberdayakan kelompok tani untuk meningkatkan kualitas sumber daya petani. Penelitian ini bertujuan untuk mengetahui peran penyuluh pertanian, mengetahui pemberdayaan kelompok tani, dan menganalisis hubungan peran penyuluh pertanian dengan pemberdayaan kelompok tani. Metode pengambilan sampel menggunakan proporsional random sampling dengan jumlah responden sebanyak 44 orang. Data dianalisis dengan menggunakan uji interval jenjang dan uji korelasi Rank Spearman dengan program IBM SPSS 25. Hasil penelitian menunjukkan bahwa peran penyuluh pertanian sebagai motivator dan fasilitator berada pada kategori tinggi, sedangkan peran penyuluh sebagai edukator dan dinamisator berada pada kategori sedang. Keberdayaan kelompok tani ditinjau dari kemandirian, kemampuan kelompok dalam menjalankan fungsinya, dan kemampuan agribisnis berada pada kategori tinggi. Peran penyuluh pertanian sebagai motivator dan fasilitator berhubungan secara signifikan dengan keberdayaan kelompok tani, sedangkan peran penyuluh sebagai edukator dan dinamisator tidak memiliki hubungan yang signifikan dengan keberdayaan kelompok tani.
Persepsi Petani Terhadap Dampak Alih Fungsi Lahan Pertanian untuk Proyek Jalan Tol Jogja – Solo Di Kecamatan Ngawen Kabupaten Klaten
Authors: Amalia Afni Khanifatul , Suwarto Suwarto , Widiyanto Widiyanto
Published: November 2024

Alih fungsi lahan pertanian adalah perubahan fungsi sebagian atau seluruh areal lahan dari fungsi semula. Alih fungsi lahan yang terjadi di Kecamatan Ngawen adalah untuk dijadikan jalan tol yang akan menghubungkan Jogja dan Solo. Penelitian ini bertujuan menganalisis persepsi dan menganalisis hubungan antara faktor-faktor pembentuk persepsi dengan persepsi terhadap dampak alih fungsi lahan pertanian untuk proyek jalan tol Jogja - Solo di Kecamatan Ngawen Kabupaten Klaten. Metode dasar penelitian yang digunakan adalah kuantitatif. Pemilihan lokasi penelitian dilakukan secara sengaja (purposive sampling). Pengambilan sampel menggunakan metode purposive proportional random sampling. Hasil penelitian menunjukkan bahwa faktor-faktor yang membentuk persepsi petani adalah umur, pendidikan formal, pendidikan non formal, tingkat pendapatan, luas lahan, lama berusahatani, dan status penguasaan lahan. Persepsi petani berada pada kategori baik dalam hal persepsi terhadap dampak usahatani, dampak kesejahteraan, dan mata pencaharian. Faktor-faktor yang memiliki hubungan yang signifikan dengan persepsi petani antara lain tingkat pendapatan, luas lahan, dan status penguasaan lahan, sedangkan faktor-faktor yang tidak memiliki hubungan yang signifikan dengan persepsi petani antara lain umur, pendidikan formal, pendidikan non formal, dan lama bertani.
Cash Holding Decision from Managerial Overconfidence and its Effect on Firm Performance
Authors: Dao N.T.T.
Published: November 2024

Managerial overconfidence significantly influences firm performance. The main purpose of this research is how to find the impact of managerial overconfidence along with cash holding decision might be more negatively serious on firm performance. An empirical study is conducted on a sample of 648 firms listed in the Vietnam stock market. The research predicts that the higher the level of managerial overconfidence, the greater the risk and likelihood of loss in firm value, especially with inappropriate cash holding decision. Finally, the empirical results reveal a positive correlation between managerial overconfidence and firm value. However, firms characterized by both managerial overconfidence and low cash holdings tend to exhibit poorer performance compared to others. Those results are satisfied the purpose of the research.
Reasons for Not Choosing Accounting Profession – Behavioral and Normative Conviction
Authors: Mardiana Mardiana , Kurniawan Michelle , Febrianti Oei Venny
Published: November 2024

Purpose - Career choice among students is a crucial factor influencing career success and industry development. Accounting is one of the frequently chosen professions; however, there is a trend showing that some students tend to avoid this field. To understand this phenomenon in greater depth, this study aims to analyze how students' beliefs affect their thought patterns, attitudes, and subjective norms in the context of career choice, and to understand the reasons behind their tendency to avoid choosing an accounting profession at a private higher education institution, using the Theory of Reasoned Action (TRA) as the analytical framework. Design/methodology/approach - This research approach is quantitative, and the data used in this study were collected through the distribution of questionnaires. Surveys were electronically sent to third and final-year students among 100 students at private higher education institutions in West Java over a period of two months. Findings - The results confirmed the simplified TRA model and indicated that behavioral beliefs (such as difficulties with accounting and higher salaries in other professions) and normative beliefs (such as parental influence), through individual attitudes and subjective norms, affect students' decisions to pursue a career in accounting at certain private higher education institutions. The findings suggest that accounting programs at some private higher education institutions should have initiatives to encourage students to develop an interest in accounting, such as recruiting professional accountants as practitioners to provide motivating activities and assist students in learning more about the field. Research limitations/implications – Additionally, more practical information should be included in accounting courses, along with effective teaching strategies, and internships and required courses should be incorporated into the college curriculum and actively shared on social media.
Keywords: Theory of Reasoned Action (TRA), Convictions, Accounting Career
Internal Control, Organizational Culture, and Leadership Style: Analysis of the Impact on Employee Fraud
Authors: Fernaldy Victorio Yosafat , Susilawati Clara
Published: November 2024

Purpose - This study focuses on manufacturing companies as its subjects of investigation. Its primary objective is to find out the impact of internal control mechanisms, organizational culture, and leadership styles on incidences of employee fraud within manufacturing firms in Semarang City. Design/methodology/approach - This research uses quantitative methods, utilizing primary data gathered through a structured questionnaire. The study encompasses all employees across 515 manufacturing companies in Semarang City, with a sample size of 90 selected through purposive sampling techniques. Data related to these manufacturing entities was sourced from the Central Statistics Agency of Semarang City. Statistical analysis was conducted using multiple regression techniques aided by SPSS software. Finding - The results showed that leadership style had a significant effect on employee fraud. Meanwhile, internal control and organizational culture have no influence on employee fraud. Research limitations/implications – Some companies did not give permission to conduct the research at their company and it is difficult to get respondents who fit the criteria. The future researchers are suggested to add respondents’ number used as research material.
Keywords: Internal Control, Organizational Culture, Leadership Style, Employee Fraud, Manufacturing Company
The Changes in Budget Tightening and Emotional Exhaustion: Role Ambiguity as Mediator and Trust as Moderator
Authors: Luthfihani Chindy Anggraeni , Setin Setin
Published: November 2024

Purpose - This study aims to determine how changes in budget tightness, emotional exhaustion, role ambiguity and trust in senior management after the Covid-19 Pandemic affected the hospitality industry in West Java. Design/methodology/approach - This study uses a quantitative approach with data collection through questionnaires distributed online to 121 hospitality industry managers in West Java. The sample selection was randomized. Findings - The results showed that budget tightness affects role ambiguity, role ambiguity affects emotional exhaustion, trust in senior management strengthens the relationship between budget tightness and role ambiguity. Research limitations/implications - The implication of these findings is that the hospitality industry should prepare for future challenges by strengthening trust between management and employees, reducing role ambiguity through clear communication of job expectations, and managing emotional exhaustion through wellbeing support and management strategies. Limitations of this study include post-pandemic conditions without direct comparison with pre-pandemic conditions.
Keywords: Budget Tightness, Emotional Exhaustion, Role Ambiguity, Trust