bluuebunny/crossref_metadata_2025 huggingface dataset:
Influence of Good Corporate Governance and Corporate Social Responbility To Company Value with Profitability as a Moderation Variable (Studies on Manufacturing Companies Listed on the Stock Exchange Indonesia Year 2017-2021)
Authors: Putra I Gde Cahyadi , Yuesti Anik
Published: March 2024

Purpose: The study added profitability as a moderating variable, predicting that the higher the profitability a firm has achieved, the more valuable it will be. Companies that can survive over the long term are reflected in further improvements in corporate value.
 
Theoretical framework: Agency theory focuses on two individuals, namely the principal and the agent. The principal delegates responsibility for decision making to agents. Both principals and agents are assumed to be rational economic people who are solely motivated by self-interest, but they have difficulty differentiating respect for preferences, beliefs and information.
 
Material and Method: This study uses a kind of quantitative research. The audit committee, board size, excellent corporate governance, and corporate social responsibility are the study's independent variables. Tobin's Q-ratio is the dependent variable in this investigation. The moderator variable for this study is profitability. The study uses secondary data, i.e. data from financial reports. The survey was conducted on all manufacturing companies listed on the Indonesian Stock Exchange. A quantitative approach was used using mathematical models for collection and analysis using statistical formulas. The sampling technique of the data collection method used in this study is literature review. internet media. The study population is manufacturing companies listed on the Indonesian Stock Exchange (IDX) between 2017 and 2021. The sample size for this study is 40 companies he listed on IDX between 2017 and 2021. The results show that the size of a company's board of directors has a significant impact on corporate value in the IDX-listed manufacturing industries from 2017 to 2021.
 
Findings: The results show that audit committees will not have a significant impact on the enterprise values of manufacturers listed on the IDX from 2017 to 2021. Findings show that corporate social responsibility (CSR) does not have a significant impact on corporate value for manufacturers listed in the IDX 2017-2021.
 
Research practical & Social Implication: Based on the research, the results of this study also show that the size of a company's board of directors helps increase shareholder value.
 
Originality/value: This is evidenced by her MRA test results in the previous chapter, where profitability amplifies the effect of a company's board size on its value. After all, the more profitable a company is, the more the board will be happy to work and the more valuable the company will be.
Quaternary Continuous Classical Boundary Optimal Control Problem Dominating by Parabolic System
Authors: Naji Fetan J. , Al-Hawasy Jamil A. Ali
Published: March 2024

In this paper, our purpose is to study the quaternary continuous classical boundary optimal control vector problem dominated by a quaternary linear parabolic boundary value problem. Under suitable assumptions and with a given quaternary continuous classical boundary control vector, the existence theorem for a unique quaternary state vector solution to the weak form is stated and demonstrated via the method of Galerkin. Furthermore, the continuity of the Lipschitz operator between the state vector solution to the weak form for the dominating equations and the corresponding are proved. The existence of a quaternary continuous classical boundary optimal control vector is stated and demonstrated under suitable Assumptions. The mathematical formulation for the quaternary adjoint boundary value problem associated with each considered boundary value problem is obtained and the Frѐchet derivative for the objective function is derived. Finally, the necessary conditions for the optimality theorem of the problem are stated and demonstrated.
Z-Essential Submodules
Authors: Abbas Muntaha khudhair , Talebi Yahya , Hadi Inaam M. Ali
Published: March 2024

We define and investigate Z- essential submodules as a generalization of essential submodules. Various characterizations and properties of Z-essential submodules are given. Moreover we introduce the concepts of Z-singular submodule and Z-closed submodules.
Evaluating the Performance and Behavior of CNN, LSTM, and GRU for Classification and Prediction Tasks
Authors: Abdullah Hasanen S. , Ali Nada Hussain , Abdullah Nada A.Z.
Published: March 2024

Deep learning (DL) plays a significant role in several tasks, especially classification and prediction. Classification tasks can be efficiently achieved via convolutional neural networks (CNN) with a huge dataset, while recurrent neural networks (RNN) can perform prediction tasks due to their ability to remember time series data. In this paper, three models have been proposed to certify the evaluation track for classification and prediction tasks associated with four datasets (two for each task). These models are CNN and RNN, which include two models (Long Short Term Memory (LSTM)) and GRU (Gated Recurrent Unit). Each model is employed to work consequently over the two mentioned tasks to draw a road map of deep learning models for a variety of tasks under the control of a unified architecture for each proposed model.
Trajectory model of adherence to cervical cancer treatment in central Mexico during the COVID-19 era
Authors: Vilchis Mora Felipe de Jesús , Quintero Soto María Luisa , Bautista Miranda Miguel , Vélez Báez Sonia Sugey , Carreon Guillen Javier , López de Nava Tapia Sofia , Hernández valdes Jorge , García Lirios Cruz
Published: March 2024

Background: Cervical Uterine Cancer is a disease that explains the vulnerability in which women find themselves in terms of reproductive health with an impact on occupational health and public health, even though in Mexico the prevalence rate is lower than the other member countries. of the OECD, its impact on Human Development and Local Development shows the importance that the disease has in communities more than in cities where prevention policies through check-ups and medical examinations seem to stop the trend, but they show the lack opportunities and capabilities of health centers in rural areas.Target: To establish the reliability, validity and correlations between the variables reported in the literature with respect to their weighting in a public hospital.Method:  A non-experimental, cross-sectional, and exploratory study was carried out with a non-probabilistic selection of 104 patients from a public hospital in the State of Mexico. The Scale of Psychosocial Variables Determining Adherence to Treatment of Cervical Cancer was constructed.Results:  From a structural model [χ2 = 490.330 (28 df) p = 0.000; GFI = 0.927; CFI = 0.970; RMSEA = 0.003] the fit of the trajectories of determinant relationships in which knowledge influenced treatment adherence behavior was demonstrated (β = 0.50).Conclusion:  The limits of the design, sampling and analysis of the study are noted, and it is recommended to include organizational and psychological variables based on theories of organizations and theories of personality.
Implementation of Trend Analysis to Fulfill Needs of Consumer Housing with Least Square Method
Authors: Anggara Denny , Pratiwi Dian , Rochman Abdul
Published: March 2024

In this era there are a lot of real estate that stands with attractive prices, facilities and home designs. Real Estate is a land and buildings on it and arranged in an orderly manner. With the rapid growth of society, it is very influential in buying ready-to-live houses that match the criteria and prices they want. However, many people have difficulty in finding a house ready to live in that fits the criteria and price range they want. Therefore, by making the Trend Analysis Application for Ready-to-occupy Houses, it can provide alternative choices to users according to the criteria that buyers want, such as having a garage, garden, building area, having how many floors and so on as well as the price they want. This application was developed using the Least Square Method Trend Analysis Method for datasets of ready-to-occupy houses collected from one housing estate agency. The steps carried out by the researchers started from collecting housing data, then the data was processed using the least square method with R- studio tools and then formulated into the PHP programming language to become a web program. After the web program was successfully built, researchers conducted a survey to determine the level of user satisfaction with the application, which was 77.8% of the 18 survey participants. Based on the presentation, it can be concluded that this research is feasible in providing home recommendations for customers.
Analysis of The Sentiment of Indonesian Presidential Candidates for 2024 on The YouTube Social Media Platform using The Support Vector Machine Method
Authors: Wahyudi Adhi , Santoso Gatot Budi , Sholihah Binti
Published: March 2024

Indonesia is a country led by a president. The term of office of a president will be democratically elected every five years. The current president will end his term of office in 2024. So that in that year, the people will hold direct general elections to determine the president between 2024 and 2029. Before the general elections are held in Indonesia itself, it is closely related to the campaigns of each presidential candidate carried out by their supporters. Campaigns are usually carried out directly to village locations and social media Twitter/Facebook/YouTube. This study aims to analyze the sentiment of comments on the YouTube platform for three Indonesian presidential candidates, Anies Baswedan, Ganjar Pranowo, and Prabowo Subianto in the context of the 2024 PresidentialElection.. Indonesia is a nation led by a president, with the presidential term lasting five years, determined through democratic elections. The incumbent president's tenure will conclude in 2024. Consequently, during that year, citizens will participate in a direct general election to select the president for the 2024- 2029 period. Prior to the domestic general elections, there is a strong link to the campaigning efforts of each presidential contender, which are conducted by their respective supporters. Campaign activities typically extend to rural areas and popular social media platforms such as Twitter, Facebook, and YouTube. This research aims to assess the sentiment of comments on the YouTube platform regarding three potential Indonesian presidential candidates: Anies Baswedan, Ganjar Pranowo, and Prabowo Subianto. This analysis takes place in the context of the upcoming 2024 Presidential Election.
Is it possible to overcome the paradoxes of the modern conceptualization of the Universe?
Authors: Rozin Vadim Markovich
Published: March 2024

The article comprehends the natural science approach to the interpretation of the Universe. At the same time, the author relies on the material of studies of the Universe and galaxies conducted by the Russian philosopher Vadim Kazyutinsky, who shows that natural science studies of the Universe are paradoxical and more like a humanitarian discourse. Hannah Arendt's assessment of these studies is no less paradoxical, she argues that the natural science approach has led to the fact that the universe is inaccessible in practice and even unthinkable. In turn, the author argues that cosmology should be classified as a scientific discipline of the humanities type, which does not exclude the presence of various physical and other natural sciences in it. The object of cosmology (similar to the objects of biology, cultural studies, and sociology) cannot be described in one scientific discipline, it is multilevel, and at each level there are different patterns that must be described by different cosmological theories. Implementing this methodology, the author proposes a scheme of three successive terrestrial Universes – "cosmic" (physical), "vital" (biological) and "social". Within the framework of the latter, a person appeared and a culture developed. Each subsequent terrestrial universe included the previous one as its component or substrate. Another understanding of the Universe is proposed, based on the following provisions: a person must re-establish himself in his understanding of the Universe, recognize its presence (conditionality) in his actions; agree that the development of the social universe has acquired a catastrophic character; begin to think through the established sociality in order to understand what needs to be changed. According to the author, the universe resembles a matryoshka doll, including the cosmic, physical, biological, social and noospheric Universes (the latter is just beginning to take shape). At the same time, there are two multidirectional processes in the social universe: one works for man and culture, the other process, due to the diverse orientation that takes place in all Universes, in fact, acts against man and culture. Two important features of the noospheric Universe will have to be the attitude towards salvation and real changes aimed at realizing this attitude.
ЭЛЕКТРОННО-МИКРОСКОПИЧЕСКОЕ ИССЛЕДОВАНИЕ СТРУКТУРЫ ЗОНЫ КОНТАКТА ПОДЛОЖКА-ПОКРЫТИЕ, ПОДВЕРГНУТОЙ ОБЛУЧЕНИЮ ИМПУЛЬСНЫМ ЭЛЕКТРОННЫМ ПУЧКОМ
Authors: Иванов Ю.Ф. , Ефимов М.О. , Громов В.Е. , Шлярова Ю.А. , Коновалов С.В. , Панченко И.А.
Published: March 2024

Используя метод проволочно-дугового аддитивного производства (WAAM-wire arc additive manufacturing) на подложке из алюминиевого сплава 5083, было сформировано покрытие из высокоэнтропийного сплава (ВЭС) Mn–Cr–Fe–Co–Ni неэквиатомного состава. Методами сканирующей и просвечивающей электронной микроскопии выполнен анализ структуры, фазового и элементного состава зоны контакта после облучения низкоэнергетическими электронными пучками с параметрами: плотность энергии пучка электронов 30 Дж/см2, длительность импульса 200 мкс, количество импульсов 3, частота следования импульсов 0,3 Гц. Выявлено образование многофазной многоэлементной субмикро- нанокристаллической структуры, сформированной преимущественно в подложке, которая имеет более низкую температуру плавления по сравнению c ВЭС. Установлено, что контактные слои, примыкающие к подложке и покрытию, имеют структуру высокоскоростной ячеистой кристаллизации. В слое, примыкающем к подложке, ячейки образованы твердым раствором магния в алюминии. По границам ячеек выявлены прослойки второй фазы, обогащенные атомами покрытия и подложки. В слое, примыкающем к покрытию, ячейки сформированы сплавом состава 0,17Mg–20,3Al–4,3Cr–16,7Fe–9,3Co–49,2Ni. По границам ячеек выявлены прослойки второй фазы, обогащенные преимущественно магнием и атомами покрытия. Центральная область зоны контакта толщиной ~ 1700 мкм сформирована кристаллитами пластинчатой формы, ее основным элементом является алюминий (≈ 77 ат. %).
ОЦЕНКА ВЛИЯНИЯ РЕЖИМОВ ТЕРМИЧЕСКОЙ ОБРАБОТКИ С ИСПОЛЬЗОВАНИЕМ ОТРИЦАТЕЛЬНЫХ ТЕМПЕРАТУР НА МЕХАНИЧЕСКИЕ СВОЙСТВА СТАЛИ ШХ15. ЧАСТЬ I: ВЛИЯНИЕ РЕЖИМОВ ТЕРМООБРАБОТКИ НА ТВЕРДОСТЬ, ПРОЧНОСТЬ И УДАРНУЮ ВЯЗКОСТЬ
Authors: Земляков С.А. , Зенин М.Н. , Иванов С.Г. , Гурьев М.А. , Черных Е.В. , Гурьев А.М. , Зюзин Д.И. , Спицын А.Е.
Published: March 2024

Присутствие остаточного аустенита после закалки конструкционной подшипниковой стали ШХ15 часто приводит к более низкой твердости и ударной вязкости, что нежелательно при изготовлении деталей прецизионного назначения. В настоящей работе установлена взаимосвязь структурных изменений вызванных разными режимами термической обработкой с механическими свойствами стали ШХ15, в том числе с применением обработки при отрицательных температурах как продолжение закалки. Исследовалось влияние отпуска при температурах 170 °C и 260 °C, сопряженного с обработкой холодом при -60 °Cи криогенной обработкой в жидком азоте при -196 °C, на механические свойства закаленной стали ШХ15. Повышение температуры отпуска стали до 260 °С приводит к снижению всех показателей механических и эксплуатационных свойств (σв, КС и HRC). Обработка холодом и криогенная обработка способствуют увеличению доли мартенсита, сопровождающееся снижением остаточного аустенита, что вызывает повышение твердости. Наиболее оптимальной совокупностью механических, а следовательно, и эксплуатационных свойств будет обладать сталь ШХ15, подвергнутая закалке с температуры 845 °С, обработке холодом при -60 °С и последующему отпуску при 170 °С.
ИЗУЧЕНИЕ ВЛИЯНИЯ ТРЁХСТУПЕНЧАТОЙ ТЕРМИЧЕСКОЙ ОБРАБОТКИ НА ФОРМИРОВАНИЕ УПРОЧНЯЮЩИХ ЧАСТИЦ ТИПА (AlSi)3(Sc,Zr) И (Mg5Si6) В СПЛАВАХ СЕРИИ Al–Mg–Si, ЭКОНОМНО ЛЕГИРОВАННЫХ Sc И Zr
Authors: Арышенский Е.В. , Лапшов М.А. , Коновалов С.В. , Распосиенко Д.Ю. , Малкин К.А. , Макаров В.В.
Published: March 2024

Проведено исследование сплава 0,6Mg1Si, с добавками скандия (0,05 %) и циркония (0,15 %), и изучены особенности его упрочнения как с помощью β''-фазы (Mg5Si6), так и Al3Sc (и ее модификации). Для сплава 0,6Mg1Si0,05Sc0,15Zr многоступенчатая термическая обработка была осуществлена следующим образом: 550 °С 8 ч + 440 °С 8 ч + 500 °С 0,5 ч + 180 °С 5 ч, для сплава 0,6Mg1Si: 550 °С 8 ч + 180 °С 5 ч. Изучение мелкодисперсных упрочняющих частиц проводилось с помощью просвечивающей электронной микроскопии. Кроме того, после каждого этапа термической обработки определялись механические свойства. Было установлено, что без применения термической обработки добавки Sc и Zr способствуют увеличению предела текучести в 3 раза и предела прочности в 2 раза. После термической обработки базовый сплав показывает большие прочностные показатели, чем легированный цирконием и скандием. Более низкие значения прочности связанны прежде всего с тем, что при естественном старении формируется в сплаве с добавками скандия формируется меньшее количество β''-фазы (Mg5Si6) чем в базовом сплаве. Это связано с тем, что в сплаве с содержанием скандия невозможно проведение полноценной закалки, так как она будет вызвать растворение образовавшихся частиц (AlSi)3(Sc,Zr). В тоже время количество частиц формирующихся в ходе термической обработки частиц (AlSi)3(Sc,Zr) достаточно мало кроме того они имею неравноостную форму и не вносят заметного вклада в упрочнение.
ИССЛЕДОВАНИЕ ДИСЛОКАЦИОННОЙ СТРУКТУРЫ, ВНУТРЕННИХ НАПРЯЖЕНИЙ И ПЕРЕРАСПРЕДЕЛЕНИЯ АТОМОВ УГЛЕРОДА В ЗОНЕ ЛОКАЛИЗОВАННОЙ ДЕФОРМАЦИИ В КОНСТРУКЦИОННОЙ СТАЛИ 20
Authors: Абабков Н.В. , Данилов В.И. , Смирнов А.Н. , Попова Н.А. , Пимонов М.В.
Published: March 2024

В работе представлены результаты исследования дислокационной структуры, величины кривизны-кручения кристаллической решетки, амплитуд полей внутренних напряжений, а также перераспределения атомов углерода в зонах устойчивой локализации деформаций в зависимости от состояния образцов из конструкционной стали 20. Исследовались образцы без эксплуатации, после эксплуатации без разрушения и с разрушением. Образцы растягивали с одинаковой скоростью до появления устойчивой зоны локализации деформации, после чего нагружение останавливали. Для исследования дислокационной структуры в работе использовали метод просвечивающей электронной микроскопии на тонких фольгах. Показано, что деформация образцов из конструкционной стали 20 в направлении «исходный» ® «не разрушенный» ® «разрушенный» во всех морфологических составляющих структуры, а также в целом по материалу постепенно приводит к измельчению структуры вплоть в отдельных участках материала до нанокристаллической. Дислокации перемещаются на границы фрагментов, скалярная плотность дислокаций r уменьшается. Одновременно уменьшаются и внутренние напряжения сдвига sЛ. Изменение локальных напряжений sд носит иной характер, а именно, пластическая составляющая локальных напряжений уменьшается, а упругая резко возрастает. Установлено, что деформация стали 20 приводит к разрушению частиц цементита, расположенных на границах дислокационных фрагментов (объемная доля уменьшается), и образованию карбидов внутри фрагментов (объемная доля их увеличивается). Углерод из разрушенных частиц цементита на границах фрагментов идет на образование частиц цементита внутри фрагментов, на дефекты кристаллической решетки и образование карбидов в новых морфологических структурах (микро- и нанозернах).
Chemical annealing restructures RNA for nanopore detection
Authors: Platnich Casey , Earle Max , Keyser Ulrich
Published: March 2024

RNA is a key biochemical marker yet its chemical instability and complex secondary structure hamper its integration into DNA nanotechnology-based sensing platforms. Relying on the denaturation of native RNA structure using urea, we show that restructured DNA/RNA hybrids can readily be prepared at room temperature. Using solid-state na-nopore sensing, we demonstrate that the structures of our DNA/RNA hybrids conform to design at the single-molecule level. Employing this chemical annealing procedure, we mitigate RNA self-cleavage, enabling the direct detection of restructured RNA molecules for biosensing applications.
The stability and redox mechanisms of Ni-rich NMC cathodes: Insights from first-principles many-body calculations
Authors: Banerjee Hrishit , Grey Clare P. , Morris Andrew J.
Published: March 2024

Ni-rich LiNi_aMn_bCo_cO_2 (NMC) cathodes undergo a series of degradation reactions, a prominent one being oxygen loss from the surface of the NMC particles, this process being more pronounced as Ni content is increased and at high voltages. Our first-principles study examines the redox behavior of transition metals and O in Ni-rich NMC cathodes as a function of (de)lithiation. We use ab initio multiple scattering, density-functional theory (DFT) based core-loss spectroscopy, and dynamical mean-field theory (DMFT) to give a many-body treatment of both dynamic and static correlations. Despite Ni, Mn, and Co K-edges calculated using ab initio multiple scattering based on Green's functions showing an excellent match with experimentally obtained X-ray absorption near-edge spectra (XANES), we demonstrate that the ionic model of ascribing shifts in the XANES spectra to changes in metal oxidation states is inappropriate. We show that in these cases, which are characterised by strong covalency between the transition metal and oxygen, DMFT calculations based on Wannier projections are essential to calculate charges and hence assign oxidation states accurately. Due to the corresponding charge transfer from O p to Ni d, a ligand hole forms on O in Ni-rich regions. The individual Ni charge remains fairly constant throughout the charging/discharging process, particularly in Ni-rich environments in the material. In contrast, O has dual redox behavior, showing greater involvement in redox in Ni-rich regions while showing negligible redox involvement in Ni-poor regions. The Ni-O covalent system starts participating in redox around a state of delithiation of ~17%, which represents, in our system, the beginning of charge. Contrary to previous DFT calculations, we show that Co oxidation does not occur at the very end of charge but rather starts at an earlier state of delithiation of ~67%. The dual behaviour of O in terms of participation in the redox process helps explain the overall higher relative stability of lower Ni content NMCs compared to Ni-rich NMCs or LiNiO_2 in terms of O loss and evolution of singlet oxygen.
Preferential HDAC6 inhibitors derived from HPOB exhibit synergistic antileukemia activity in combination with decitabine
Authors: Tretbar Maik , Schliehe-Diecks Julian , von Bredow Lukas , Tan Kathrin , Roatsch Martin , Tu Jia-Wey , Kemkes Marie , Sönnichsen Melf , Schöler Andrea , Borkhardt Arndt , Bhatia Sanil , Hansen Finn Kristian
Published: March 2024

Histone deacetylase 6 (HDAC6) is an emerging drug target to treat oncological and non-oncological conditions. Since highly selective HDAC6 inhibitors display limited anticancer activity when used as single agent, they usually require combination therapies with other chemotherapeutics. In this work, we synthesized a mini library of analogues of the preferential HDAC6 inhibitor HPOB in only two steps via an Ugi four-component reaction as the key step. Biochemical HDAC inhibition and cell viability assays led to the identification of 1g (highest antileukemic activity) and 2b (highest HDAC6 inhibition) as hit compounds. In subsequent combination screens, both 1g and especially 2b showed synergy with DNA methyltransferase inhibitor decitabine in acute myeloid leukemia (AML). Our findings highlight the potential of combining HDAC6 inhibitors with DNA methyltransferase inhibitors as a strategy to improve AML treatment outcomes.
Cationic and anionic dual redox activity of MoS2 for electrochemical potassium storage
Authors: Vijaya Kumar Saroja Ajay Piriya , Han Yupei , Nason Charlie , Sankar Gopinathan , Lu Yi , Tinker Henry , Stewart Andrew , Celorrio Veronica , Zhou Min , Luo Jiayan , Xu Yang
Published: March 2024

MoS2 is receiving intensive attention in the research area of potassium-ion batteries (PIBs) and regarded as one of the most promising PIB anodes. Great progress has been made to enhance the electrochemical performance of MoS2, but understanding of the electrochemical mechanism to store K-ion in MoS2 remains unclear. This work reports that the K storage process in MoS2 follows a complex reaction pathway involving the conversion reactions of both Mo and S and as a result, the storage process shows both cationic redox activity of Mo and anionic redox activity of S. The presence of dual redox activity, characterized in-depth through synchrotron X-ray absorption, X-ray photoelectron, Raman, and UV-vis spectroscopies, reveals the irreversible Mo oxidation during the depotassiation process redirects the reaction pathway towards S oxidation, which leads to the progression of K-S electrochemistry in the (de)potassiation process. Moreover, the dual reaction pathway can be regulated by controlling the discharge depth at different cycling stages of MoS2, realizing a long-term stable cycle life of MoS2 as a PIB anode.
C3-Chiral truxenes showing high circularly polarized fluorescence and phosphorescence properties based on symmetry-forbidden transition
Authors: Omine Takuya , Ishiwari Fumitaka , Won Taehyun , Aizawa Naoya , Takeda Youhei , Yakiyama Yumi , Mori Tadashi , Hirose Takashi , Nakayama Ken-ichi , Saeki Akinori
Published: March 2024

Significant effort has been devoted to creating new molecules that show circularly polarized luminescence (CPL) and can be used in devices from both experimental and theoretical approaches. Here we show a new design strategy to achieve a large dissymmetric factor (g value) for CPL based on the symmetry-forbidden transition of π-conjugated molecules. This approach was successfully demonstrated by simple syn-5,10,15-trisubstituted truxenes exhibiting excellent g value for CPL on the order of 10–2. A Herzberg-Teller vibronic analysis and variable-temperature CPL measurements revealed that molecular vibrations dramatically lower the intensity of CPL. Furthermore, at low temperatures, syn-5,10,15-trimethyltruxene exhibits prolonged and strong phosphorescent CPL, which can be analyzed by calculating transition dipole moments using molecular orbitals in the triplet excited state. Leveraged on these findings, a conformationally rigid double-decker-type truxene with robust CPL properties at high temperatures was applied as an emitter in electroluminescence devices exhibiting CPL with a high g value.
Molecular origin of distinct hydration dynamics in double helical DNA and RNA sequences
Authors: Frezza Elisa , Laage Damien , Duboué-Dijon Elise
Published: March 2024

Water molecules are essential to determine the structure of nucleic acids and mediate their interactions with other biomolecules. Here, we characterize the hydration dynamics of analogous DNA and RNA double helices with unprecedented resolution and elucidate the molecular origin of their differences: localization of the slowest hydration water molecules---in the groove in DNA, next to phosphates in RNA--- and a markedly distinct hydration dynamics of the two phosphate oxygen atoms OR and OS in RNA. Using our Extended Jump Model for water reorientation, we assess the relative importance of previously proposed factors, including the local topography, water bridges and the presence of ions. We show that the slow hydration dynamics at RNA OR sites is not due to bridging water molecules, but is caused by both a larger excluded volume and a stronger initial H-bond next to OR, which can be linked to different phosphate orientations in A-form double helical RNA.
Rapid, Accurate, Ranking of Protein-Ligand Binding Affinities with VM2, the 2nd –Generation Mining Minima Method
Authors: Gilson Michael K. , Stewart Lawrence E. , Potter Michael J. , Webb Simon P.
Published: March 2024

The structure-based technologies most widely used to rank the affinities of candidate small molecule drugs for proteins range from faster but less reliable docking methods to slower but more accurate explicit solvent free energy methods. In recent years, we have advanced another technology, which is called mining minima because it “mines” out the main contributions to the chemical potentials of the free and bound molecular species by identifying and characterizing their main local energy minima. The present study provides systematic benchmarks of the accuracy and computational speed of mining minima, as implemented in the VM2 code, across two well-regarded protein-ligand benchmark datasets for which there are already benchmark data for docking, free energy, and other computational methods. A core result is that VM2’s accuracy approaches that of explicit solvent free energy methods at far lower computational cost. In finer grained analyses, we also examine the influence of various run settings, such as the treatment of crystallographic water molecules, on accuracy, and define the costs in time and dollars of representative runs on Amazon Web Services (AWS) compute instances with various CPU and GPU combinations. We also use the benchmark data to determine the importance of VM2’s correction from generalized Born to finite-difference Poisson-Boltzmann results for each energy well, and find that this correction affords a remarkably consistent improvement in accuracy at modest computational cost. The present results establish VM2 as a distinctive technology for early-stage drug discovery, which provides a strong combination of efficiency and predictivity.
Superior charge transport in Ni-diamine conductive MOFs
Authors: Wang Jiande , Chen Tianyang , Oppenheim Julius , Jeon Mingyu , Tan Bowen , Dinca Mircea
Published: March 2024

Two-dimensional conductive metal–organic frameworks (2D cMOFs) are an emerging class of crystalline van der Waals layered materials with tunable porosity and high electrical conductivity. They have been used in a variety of applications, such as energy storage and conversion, chemiresistive sensing, and quantum information. Although de-signing new highly conductive 2D MOFs and studying their composition/structure-property relationships have at-tracted significant attention, there are still very few examples of 2D cMOFs that exhibit room-temperature electrical conductivity above 1 S cm–1. When such high conductivities are achieved, Ni-diamine linkages are often involved, yet Ni-diamine MOFs remain difficult to access. Here, we report two new 2D cMOFs M3(HITT)2 (M = Ni, Cu; HITT = 2,3,7,8,12,13-hexaiminotetraazanaphthotetraphene). Ni3(HITT)2 exhibits electrical conductivity of as high as 4.5 S cm–1 at 298 K, much higher than that of its copper analogue Cu3(HITT)2, 0.05 S cm–1. Spectroscopic analysis reveals that Ni3(HITT)2 exhibits significantly stronger in-plane π-d conjugation and higher density of charge carriers com-pared to Cu3(HITT)2, accounting for the higher electrical conductivity of Ni3(HITT)2. The present work provides a deeper understanding of the influence of metal nodes on the electrical conductivity of cMOFs.
Characterization of deformational isomerization potential and interconversion dynamics with ultrafast x-ray solution scattering
Authors: Powers-Riggs Natalia E. , Birgisson Benedikt O. , Raj Sumana , Biasin Elisa , Lenzen Philipp , Bregenholt Zederkof Diana , Haubro Morten , Tveiten Dagrún K. V. , Hartsock Robert , van Driel Tim B. , Kunnus Kristjan , Chollet Matthieu , Robinson Joseph , Nelson Silke , Forbes Ruaridh , Haldrup Kristoffer , Pedersen Kasper Steen , Levi Gianluca , Dohn Asmus Ougaard , Jónsson Hannes , Møller Klaus Braagaard , Natan Adi , Nielsen Martin Meedom , Gaffney Kelly
Published: March 2024

Dimeric complexes composed of d8 square planar metal centers and rigid bridg- ing ligands provide model systems to understand the interplay between attractive dispersion forces and steric strain, in order to assist the development reliable meth- ods to model metal dimer complexes more broadly. [Ir2(dimen)4]2+ (dimen = para- diisocyanomenthane) presents a unique case study for such phenomena, as distortions of the optimal structure of a ligand with limited conformational flexibility counteracts the attractive dispersive forces from the metal and ligand to yield a complex with two ground state deformational isomers. Here, we use ultrafast X-ray solution scattering (XSS) and optical transient absorption spectroscopy (OTAS) to reveal the nature of the equilibrium distribution and the exchange rate between the deformational isomers. The two ground state isomers have spectrally distinct electronic excitations that enable the selective excitation of one isomer or the other using a femtosecond duration pulse of visible light. We then track the dynamics of the non-equilibrium depletion of the electronic ground state population – often termed the ground state hole – with ultra- fast XSS and OTAS, revealing a restoration of the ground state equilibrium in 2.3 ps. This combined experimental and theoretical study provides a critical test of various density functional approximations in the description of bridged d8-d8 metal complexes. The results show that density functional theory calculations can reproduce the primary experimental observations if dispersion interactions are added and a hybrid functional, which includes exact exchange, is used.
Functionality-type and chemical-composition separation for poly(lactide-co-glycolide) using gradient elution with basic and acidic additives in normal-phase liquid chromatography
Authors: Serizawa Masashi , Reekers Jeroen , Delft Pieter van , Bruijnsvoort Michel van , Schoenmakers Peter J. , Gargano Andrea F.G.
Published: March 2024

The end groups of poly(lactide-co-glycolide) (PLGA) play a crucial role in determining the properties of polymers used in drug delivery systems. Research has shown that the encapsulation efficiency in PLGA microspheres can vary significantly between ester-terminated and acid-terminated PLGA. To study the functionality-type distribution (FTD) in PLGA polymers, researchers have used methods such as matrix-assisted laser desorption/ionization – high-resolution mass spectrometry and electrospray ionization – mass spectrometry. However, these methods are typically limited to PLGA polymers with a molecular weight of up to 4kDa. 13Carbon-nuclear-magnetic-resonance has also been used to differentiate and quantify PLGA end groups, but this method is time-consuming, taking over 12 hours per sample. To address these limitations, we have developed a normal-phase liquid chromatography method that can separate FTD and partial chemical composition distribution (CCD) in PLGA polymers. Our method can separate PLGA polymers with a molecular weight of up to 185 kDa and simultaneously separate the difference in lactic acid (LA)/glycolic acid (GA) ratios. To achieve this, we used a cross-linked diol column with a ternary gradient from hexane to 0.1% v/v triethylamine in THF to 0.1% v/v formic acid in THF. This allowed for the elution of ester-terminated PLGA, followed by acid-terminated PLGA. We also separated ester-terminated PLGA in the difference of the LA/GA ratio. Our method is expected to help understand the correlation between PLGA’s FTD, CCD, and physical properties, which will facilitate product development.
PORTARIA MINISTERIAL N.º 75/2012: CONFLITO ENTRE A INDISPONIBILIDADE DO INTERESSE PÚBLICO E A BUSCA POR UM MECANISMO DE COBRANÇA MENOS GRAVOSO AO ERÁRIO E OS DIREITOS DA PERSONALIDADE
Authors: Manfrinato dos Reis Amaro Mylene , Moraes Pereira Lago Andréa Carla
Published: March 2024

A presente pesquisa busca avaliar a validade dos dispositivos da Portaria n° 75/2022, em face do princípio da indisponibilidade do interesse público. O problema que orienta o estudo pode ser sintetizado na seguinte pergunta: Em que medida o executivo fiscal não se apresenta como o instrumento mais hábil para recuperação do crédito tributário? Pois, além de o custo de uma execução para o Estado se sobrepor ao valor do débito contido na CDA, o risco de o contribuinte não dispor de bens para solver a dívida torna o resultado da ação onerosa para o Estado. De forma a conter processos temerários, o Ministério da Fazenda institui a Portaria n.º 75/2012. Os objetivos específicos do texto, consistem em: a) avaliar, a partir do estudo já realizado no âmbito do Direito, como ocorre a arrecadação de tributos no Brasil; b) investigar se a citada Portaria deixou de o cobrar o tributo ou se racionaliza o processo de cobrança, para que a solvência do débito se concretize com mais eficiência e forma menos onerosa para o Estado; c) analisar a validade dos dispositivos da Portaria n° 75/2012, em face do princípio da indisponibilidade do interesse público e se essa conduta fere os direitos da personalidade do devedor. Além disso, averiguar se os métodos alternativos de resolução de conflitos são capazes de solucionar disputas relacionadas a cobrança de débitos fiscais de devedores. O método de pesquisa foi o hipotético-dedutivo, mediante o emprego de técnica de pesquisa bibliográfica e documental.
PLANEJAMENTO FAMILIAR: DIREITO FUNDAMENTAL E SUAS LIMITAÇÕES
Authors: Manfrinato dos Reis Amaro Mylene , Moraes Pereira Lago Andréa Carla
Published: March 2024

A presente pesquisa, desenvolvida por meio do método hipotético-dedutivo, fundamentado em revisão bibliográfica, tem como objetivo de investigar o direito ao livre planejamento familiar como um direito fundamental assegurado em sede internacional e também pelo ordenamento jurídico brasileiro e, se tal direito pode ser considerado como absoluto para os indivíduos que se utilizam dele para concretização de suas famílias. O mencionado direito é empregado como livre escolha do casal ou pessoas que esteja formando seu núcleo familiar, estabelecendo ao Estado o dever de propiciar os meios eficazes para que esse direito seja exercido, proibindo também qualquer conduta por parte do Poder Público ou da sociedade que interfira na liberdade procriativa dos indivíduos. É nesse panorama, que nasce a importância do presente estudo, é necessário partir de um novo olhar sobre o livre planejamento familiar para que os futuros filhos não sejam vítimas de desejos egoístas de seus genitores que agem como se o planejamento familiar fosse um direito absoluto.
LOCAL OWN-SOURCE REVENUE AND ITS DETERMINANTS
Authors: William Fandy , Harjanto Karina
Published: March 2024

The purpose of this research is to obtain empirical evidence about the effect of Total Population, Domestic Investment, and Gross Regional Domestic Product towards Local Own-source Revenue. The object of this research are districts and cities in the province of Banten in 2016-2020. Sample of this research were selected using census method and testing was performed using multiple linear regression method. The observation of this research are 8 Districts and cities in the province of Banten namely Pandeglang District, Lebak District, Tangerang District, Serang District, Tangerang City, Cilegon City, Serang City, and South Tangerang City. The result of this research are Total Population, Domestic Investment, and Gross Regional Domestic Product simultaneously have significant effect toward Local Own-source Revenue. Partially, Total Population and Gross Regional Domestic Product has a significant effect towards Local Own-source Revenue, while Domestic Investment does not have a positive effect toward Local Own-source Revenue.
Studi Kasus Gizi Buruk pada Anak Usia 36 Bulan di Desa Cot Kumbang Puskesmas Baktiya Kabupaten Aceh Utara
Authors: Gusfanny Dio , Namira Isra , Zara Noviana , Fardian Nur , Mardiati Mardiati , Fitriani Julia , Ikhsan Ridhalul , Maulina Meutia , Zahara Cut Ita , Muna Zurratul , Dewi Rahmia
Published: March 2024

Malnutrisi merupakan masalah kesehatan masyarakat yang bersifat universal baik pada anak-anak maupun orang dewasa. Terdapat dua kategori besar malnutrisi yaitu gizi kurang dan gizi lebih. Stunting, wasting dan underweight paling banyak terjadi di negara berpenghasilan rendah dan menengah ke bawah. Pasien An. R usia 36 bulan dengan jenis kelamin perempuan, datang ke Puskesmas dengan keluhan diare yang dialaminya dalam 2 hari ini. Dalam pengukuran antropometri didapatkan TB anak 87 cm, BB 8 Kg. Status gizi pasien berdasarkan Z-Score TB/U -2 SD, BB/U -3,4 SD dengan demikian dapat di interpretasikan anak mengalami pendek (stunting) dan gizi buruk. Terdapat dua faktor yang mempengaruhi pasien mengalami gizi buruk dan stunting, diantaranya adalah faktor internal (meliputi asupan makanan dan infeksi) dan faktor eksternal (penghasilan orang tua rendah, pendidikan orang tua, pola asuh yang kurang baik). Kunjungan dilakukan ke rumah pasien sebanyak 3 kali dengan interval tiap kali kunjungan adalah 1 minggu. Kunjungan pertama dan kedua belum ada peningkatan berat badan anak dan perubahan perilaku ibu/keluarga. Namun pada kunjungan terakhir ibu telah memahami dan melakukan anjuran dari edukasi yang telah disampaikan, seperti pola pemberian makan pada anak, gizi seimbang dan perilaku hidup bersih dan sehat (PHBS). Kunjungan terakhir didapatkan peningkatan BB anak, yaitu dari 8 Kg menjadi 8,5 Kg. Diharapkan pada ibu dan anggota keluarga lain untuk tetap menerapkan perilaku yang telah di anjurkan agar tercapainya BB ideal dan keluarga yang sehat.
Penatalaksanaan Sindroma Kakeksia pada Kanker Kepala Leher
Authors: Surayya Rahmi
Published: March 2024

Sindroma kakeksia (cachexia syndrome) merupakan salah satu kondisi sering dialami oleh pasien kanker kepala dan leher. Prevalensi sindroma kakeksia pada kanker kepala dan leher mencapai 80%, bahkan 20%-30% kondisi ini ditemukan pada fase sebelum pengobatan. Hal ini terjadi karena menurunnya asupan makanan oral akibat lokasi tumor yang sering menimbulkan trismus, odinofagia, disfagia, dan/atau aspirasi. Namun demikian, diagnosis dan tatalaksana sindroma kakeksia pada pasien kanker kepala leher masih sering terabaikan sehingga berpengaruh terhadap efektivitas terapi kanker serta kualitas hidup pasien. Tujuan penulisan artikel ini untuk menjelaskan tentang penatalaksanaan sindroma kakeksia pada pasien kanker kepala leher.
Diet Rendah Garam pada Pasien Hipertensi
Authors: Lubis Ilfan Adi Putra , Siregar Sarah Rahmayani , Khairunnisa Khairunnisa , Fauzan Ahmad
Published: March 2024

Hipertensi merupakan masalah kesehatan masyarakat yang utama di Indonesia karena prevalensinya yang tinggi dan merupakan faktor risiko penyakit jantung, gagal ginjal, dan stroke.Hipertensi diderita oleh satu miliar orang di seluruh dunia dan diperkirakan pada tahun 2025 akan meningkat menjadi 1,5 miliar orang. Berdasarkan data Riskesdas tahun 2018, prevalensi hipertensi mengalami peningkatan dari 25,8% menjadi 34,1%. Salah satu faktor resiko hipertensi yang dapat dimodifikasi adalah diet tinggi garam. Konsumsi natrium yang berlebihan merupakan penyebab utama tingginya penyakit hipertensi. Oleh karena itu, mengurangi jumlah asupan natrium akan membantu menurunkan tingkat tekanan darah. Tujuan dari telaah singkat ini untuk menyajikan semua bukti mengenai hubungan diet rendah garam terhadap penurunan tekanan darah pada penderita hipertensi. Pencarian literatur dilakukan pada database PubMed, Science Direct, Google Scholar dan Springer Link pada topik diet rendah garam terhadap hipertensi. Hasil telaah menujukkan penelitian tentang hubungan diet rendah garam pada hipertensi telah dilaporkan. Berdasarkan bukti yang ada, diet tinggi sodium atau garam dapat meningkatkan tekanan darah. Kesimpulannya bahwa diet rendah garam dapat berpengaruh terhadap tekanan darah pasien hipertensi.
Przeciw niepamięci – retoryka wspomnienia rodzinnego w „Fałszerzach pieprzu" Moniki Sznajderman
Authors: Piechota Magdalena
Published: March 2024

Autorka proponuje rozważania nad perswazyjną intencją książki Moniki Sznajderman Fałszerze pieprzu. Historia rodzinna. W perspektywie retoryki wspomnienia rodzinnego rozważone zostały zagadnienia niepamięci, traumatycznych białych plami postpamięci jako procesów psychologiczno-społecznych, prowadzących do potrzeby rekonstrukcji własnej tożsamości i dokonania własnych wyborów etycznych. Ramą dla analiz stała się triada retorycznych sposobów przekonywania, czyli lógos, éthos i pathos oraz semantyka i filozofia fotografii.
Contemporary prolepsis in digital rhetoric: the roles and functions of proleptic cues
Authors: Landowska Alina , Rocci Andrea , Koszowy Marcin
Published: March 2024

This article explores the adaptation of Gérard Genette's concept of narrative prolepsis in the realm of social media as the proleptic technique, demonstrating its effectiveness as a tool for anticipatory rhetoric in digital communication. By analysing selected instances from Twitter and Facebook, the study illustrates how digital utterances employ proleptic cues to capture audience attention and potentially engage audiences. The concept of prolepsis, traditionally associated with narrative foresight in literature, is shown to be effectively transposed into the digital context, where it functions as a mechanism to attract user attention. This adaptation highlights the dynamism of rhetorical strategies in the evolving landscape of digital communication, underscoring the continuity of classical rhetorical principles in new media environments. Future research should incorporate a corpus study, which would allow for an in-depth examination of the diverse array of proleptic cues employed by social media influencers. Furthermore, an exploration into the persuasive efficacy of prolepsis, along with its potential links to reasoning fallacies, could provide intriguing insights. Additionally, an analysis of audience reactions to these cues could contribute to a more holistic understanding of their impact.
Retoryka pamięci zbiorowej – ujęcia, perspektywy i problemy badawcze
Authors: Wójcicka Marta
Published: March 2024

Artykuł stanowi próbę zdefiniowania terminu „retoryka pamięci”. W pierwszej części przedstawiono lingwistyczne ujęcie pamięci zbiorowej, definiowanej jako obraz przeszłości kreowany w tekście oraz pamiętania jako praktyki komunikatywnej. Zwrócono także uwagę na rolę jednostki w procesie pamiętania. W kolejnych częściach przedstawiono kluczowe koncepcje retoryki pamięci oraz założenia retoryki wizualnej i multimodalnej. Ostatnia część stanowi retoryczną analizę przemówienia wygłoszonego przez Mariana Turskiego w 80. rocznicę wybuchu powstania w getcie warszawskim. Analizowany tekst – intertekstualny i interikoniczny – zawiera i przywołuje obrazy przeszłości, a zarazem służy pamiętaniu – ukazuje przeszłość jako continuum, proces. Analiza – zgodnie z założe­niami retoryki multimodalnej – składa się z trzech części: analiza syntaktyczna (środki semiotyczne), analiza semantyczna (znaczenie), analiza pragmatyczna (funkcje znaków).