bluuebunny/crossref_metadata_2025 huggingface dataset:
Experimental study of the potential of concentrated NaCl solutions for use in pressure-retarded osmosis process
Authors: Dietrich Fabian , Cieślikiewicz Łukasz , Furmański Piotr , Łapka Piotr
Published: May 2024

Pressure retarded osmosis is a process that enables useful work generation from the salinity difference of solutions. The literature most often considers using pressure retarded osmosis with natural sodium chloride (NaCl) solutions, such as seawater, dedicated for open systems. To explore the full potential of this process, however, optimized, highly concentrated solutions of various compounds can be used. The presented research is focused on evaluating the impact of increasing draw solution temperature and concentration on the permeate flow in the osmotic process. The permeate flow is directly related to achievable work in this process, therefore, it is important to find feed and draw solution parameters that maximize it. An experimental setup developed in this study provides full control over the process parameters. Furthermore, the performance characteristics of the membrane over process time were investigated, as it became evident during preliminary experiments that the membrane impact is significant. The studies were conducted without back-pressure, in a configuration typical of the forward osmosis process, with solution circulation on both sides of the membrane. The obtained results show a clear positive impact of both the temperature and concentration increase on the potential output of a pressure retarded osmosis system. The membrane behaviour study allowed for correct interpretation of the results, by establishing the dynamics of the membrane degradation process.
From party to pandemic – Frames and metaphors in the news coverage of the COVID-19 outbreak in Austria
Authors: Schätz Konstantin , Kirchhoff Susanne
Published: May 2024

Media framing facilitates people’s understanding of a threat and affects one’s emotional reaction. It therefore plays a vital role in both individual and societal responses to a public health crisis such as the COVID-19 pandemic. Using a combination of conceptual metaphor analysis and qualitative frame analysis, this article examines how three Austrian newspapers framed the initial national outbreak of COVID-19 in March 2020. The results show that at that early stage, media coverage was primarily concerned with the national government’s political actions to contain the disease. Only a few articles framed the situation in terms of personal experiences and possible economic or social consequences. As has been the case in research reporting on other health crises, metaphors of war, journeys, and natural disasters were used to conceptualize the coronavirus pandemic. Yet, overall, the tone remained neutral, as the media framing was clearly aimed at passing on information and conveying a sense of urgency while at the same time trying to avoid scare tactics.
Fragmented acupuncture needle as a linear metallic foreign body near the proximal interphalangeal joint of a horse
Authors: Trostle Steven S. , Kearney Elizabeth M. , Medoff Megan , Devaney Shawn
Published: May 2024

OBJECTIVE

To describe the clinical presentation, diagnosis, and treatment of a fragmented, migrating acupuncture needle near the palmar proximal interphalangeal joint (PIPJ) of a horse.

ANIMAL

A 9-year-old Warmblood cross mare.

CLINICAL PRESENTATION, PROGRESSION, AND PROCEDURES

The mare presented for evaluation of a linear metallic foreign body on the palmar lateral aspect of the PIPJ following acupuncture treatment. The mare had a pinpoint puncture wound and sensitivity to palpation over the lateral aspect of the PIPJ region. The referring veterinarian performed radiographs and found a linear metallic foreign body near the lateral palmar PIPJ. Ultrasonographic examination demonstrated a hyperechoic lesion consistent with a metallic object in the soft tissues of the palmar lateral aspect of the PIPJ.

TREATMENT AND OUTCOME

The horse was anesthetized, and the linear metallic foreign body was removed. The use of intraoperative ultrasound and digital radiographs assisted in determining the location of and surgical approach to remove the foreign body. The linear metallic foreign body was the fragmented segment (body) of an acupuncture needle. The mare recovered from surgery uneventfully and returned to the previous level of activity.

CLINICAL RELEVANCE

This report demonstrates the potential risks of prolonged retention and or delayed removal of acupuncture needles in the form of needle fragmentation and migration. It also demonstrates the use of imaging in determining the location and position of small, thin metallic foreign bodies to aid in surgical approach and removal.
Gratitude, perceived social support, and students' resilience during distance learning due to COVID-19
Authors: Fitroh Nurul , Mansoer Winarini Wilman D.
Published: May 2024

The COVID-19 pandemic changed many aspects of life, including learning process. Distance learning has been implemented as a response to the pandemic. These changes have a psychological impact on students. This study aims to explore the role of gratitude as a mediator in the relationship between social support and resiliency among students during distance learning. This study used quantitative method to 42 students (M=21,5). The study found that, while gratitude is not meaningful mediating variabel accounting for the relationship between social support and resilience, perceived social support predicts higher levels of resilience and gratitude among students participating in distance learning. While few participants reported that they adjusted well with the shift of learning mode, common challenges faced by participants which necessitates resilience in distance learning include: less enthusiasm in learning due to limited social interaction, poor time management, and exhaustion due to prolong exposure to screen.
A Single Fahter’s Caregiving
Authors: Waroka Linda Ardiya , Rahmatullah Azam Syukur , Suud Fitriah M. , Sairin Sjafri
Published: May 2024

Objective: This research aims to examine the intricate dynamics of single-parent households in Indonesia, specifically focusing on the role of fathers as single parents, which is shaped by their work responsibilities and duties before and after divorce.
 
Method: This research utilizes a qualitative phenomenological methodology, employing snowball sampling to collect data through in-depth interviews. An interview was done to collect data on the father's pre-divorce experience, encompassing his initial parental role, changes in his obligations after the divorce, his level of involvement in raising the kid, and the difficulties he faced.
 
Results and Discussion: The research shows that fathers act as breadwinners, caregivers, mentors and protectors of children. Challenges include managing time between work and children, educating them in worship, and overcoming social expectations and shyness. This research underlines the hopes of single fathers for their children to grow up independent, intelligent and responsible. This research reveals the diversity of fathers' roles as single parents, influenced by work, reasons for divorce, and roles before and after divorce. Fathers face embarrassment, difficulties caring for children, working outside the city, and leaving children alone. Although complex, the role of single fathers shows a positive impact on children's academic performance. Fathers hope to see his children succeed and love their father.
 
Originality/Value: This research offers a comprehensive examination of the father's role as the exclusive caregiver in the upbringing of children.
Causes of High Turnover Intention: Due to Work Family Conflict and Work Environment Factors
Authors: Hasanah Uswatun , Bagis Fatmah
Published: May 2024

Purpose: This study aims to empirically test a research model that further investigates the influence of the work environment on turnover, the influence of work-family conflict on turnover, and whether there is a mediating effect of work-family conflict on turnover intention.
 
Theoritical Framework: This research uses the Theory of Planned Behavior. The intention to move comes from individual intentions that cannot be felt and after feeling out of control they will decide to leave their job which is also supported by other factors. This theory can also see that the nurse's work environment and WFC contain three standards (time-based conflict, tension-based conflict, and behavior-based conflict) which function as the main predictors of turnover intention in nurses.
 
Design/methodology/approach: This study uses a quantitative approach. The respondents of this research were employees of private Hospitals in Karasidenan Banyumas, with a population of 285 employees with a sample of 240 people calculated using the Slovin formula with a margin of error of 10%. Respondents in this study were dominated by women. The average age of respondents is 20-25 years. The sampling technique used was quota sampling by setting quotas based on the proportion of each hospital. This research uses a Structured Equation Modeling (SEM) application based on Partial Least Square (PLS).
 
Findings: This finding shows that a favorable relationship between the work environment and work-family conflict both have a significant effect on turnover turnover because the P-value shows <0.05. And the mediation results showed that work-family conflict can mediate the relationship between the work environment and the intention to move with a significance value of 0.040.
 
Research, Pratical & Social Implication: The study is similar to research conducted by Abdou et al., (2022) in the hospitality sector which revealed that the perception of work environment hospitality has a direct impact on employee turnover intentions through WFC which partially mediates the relationship between research components. This study has a limitation, namely concentrating on the variable Work-Family Conflict as a mediator in the relationship between the nurse's work environment and turnover intention. WFC as a mediation hopefully can be a reference for further research. Another limitation is that this research only examines the nursing sector, and in the future it could be carried out in other sectors such as the hotel sector or other service sectors.
 
Originality/value: This study examines the impact of the work environment on turnover turnover, the effect of work-family conflict on turnover turnover, and whether there is a mediating effect of work-family conflict on the intention to move.
Microbial Fuel Cells Performance Evaluation through the Application of Fuzzy Logic
Authors: Cardozo Matheus Henrique Alcântara de Lima , Rodrigues Isabel Cristina Braga , Fabiano Demian Patrick , Nucci Edson Romano
Published: May 2024

Objective: This work aimed to employ fuzzy logic combined with the design of experiments technique to statistically evaluate how the microbial fuel cells operating parameters influence their performance.
 
Theoretical Framework: Microbial fuel cells (MFC) are a technology of interest in the current scenario as they allow simultaneously promoting the biotreatment of waste and the bio generation of electrical energy.
 
Methodology: Through a bibliographical search based on publications on Google Scholar platform over the last 10 years, it was noticed that anode area, external electrical resistance and reactor volume are the most reported input parameters in MFC research and current density and power density are the output parameters most frequently portrayed in these studies, which is why these variables were selected for statistical investigation.
 
Results and Discussion: The results showed that, for both outputs studied, reactor volume and anode area showed a positive effect, while the external electrical resistance showed a negative effect. It was also possible to develop mathematical models that indicated the relationship between the input and output variables studied, with statistical significance for power density model (R2 = 86%).
 
Originality: Applying computational simulations and subsequent design of experiments to obtain results in accordance with those obtained experimentally in the laboratory.
The Impact of Big Data Analytics on The Detection of Errors And Fraud in Accounting Processes
Authors: Shalhoob Hebah , Halawani Bayan , Alharbi Maha , Babiker Iman
Published: May 2024

Purpose: This study aims to discuss and investigate the role of big data analytics (BDA) in promoting error detection and preventing fraud in accounting operations.
 
Methodology: It uses a secondary method of data collection (desk study) to explore the potential impact of BDA in enhancing error and fraud prevention on six key considerations including data quality and integrity; data privacy and security; real-time monitoring and alerts; integration with internal controls; ethical implications; and human experience.
 
Finding: The analysis shows that the BDA enhances fraud detection by integrating data from multiple sources, using sophisticated algorithms to identify anomalies. Reduces false positives and improves accuracy. However, human expertise is essential for ethical standards and transparency.
 
Implications: It has significant implications for the accounting profession, as it provides an addition in both theoretical knowledge and practical applications, theoretical implications include developing accounting knowledge, developing data-driven models, establishing ethical frameworks, and promoting interdisciplinary insights. On a practical level, it provides guidance for improving financial accuracy, fraud prevention, regulatory compliance, data-driven decision-making, and professional development for accountants.
 
Contribution: It contributes to bridging the research gap in the aspect related to the analysis of big data and its impact on the quality of accountants' work, as this topic is of high importance to researchers, governments, policymakers, industries, companies, investors, and regulators, bridging the gap between accounting and data analytics. This interdisciplinary approach is critical in understanding the evolving landscape of the impact of big data analytics on financial transparency and accuracy of financial reporting.
 
Article Type: Research Paper.
The Impacts of HRM Practices on Employee Outcomes: The Mediating Role of HRM Effectiveness
Authors: Alkhamis Faisal Abdulkarim
Published: May 2024

Purpose: This study aimed to examine the impacts of human resource management (HRM) practices on employee outcomes (employee commitment, employee satisfaction, and employee turnover intention) through HRM effectiveness.
 
Theoretical Framework: The literature recognized the importance of HRM effectiveness in achieving both organizational outcomes and employee outcomes. Numerous variables were examined as mediating variables between HRM practices and organizational as well as employee outcomes such as work attitudes, employee engagement, knowledge management, employee performance, and HRM effectiveness.
 
Method: Collecting data using a questionnaire-based survey from a convenient sample of employees.
 
Results and conclusion: The results pointed out a significant direct effect of HRM practices on employee job satisfaction and insignificant direct effects of HRM practices on employee commitment and employee turnover intention. Also, the results revealed that the impact of HRM practices on employee satisfaction is partially mediated by HRM effectiveness and the impacts of HRM practices on employee commitment and employee turnover intention are fully mediated by HRM effectiveness. Hence, it was concluded that employee outcomes are positively related to the extent to which HRM practices are effectively executed.
 
Research implications: The organizations are required to expand their HRM practices bundle and appraise HRM practices in numerous areas including employee succession planning, talent development, employee empowerment, quality enhancement management, performance management, as well as merit-based training and promotion.
 
Originality/value: This study puts emphasis on the role of HRM practices on employee outcomes such as employee commitment, employee job satisfaction, and employee turnover intention.
Living with a Smart Knee
Authors: Daoud Youssef , Baldassarre Julia , Prilesnik Abbey , Riczker Aubrey
Published: May 2024

After years of wear and tear, many individuals may experience chronic knee pain and require total knee replacement (TKR) to maintain quality of life. However, this approach is limited by a risk of chronic pain after knee replacement. The Persona IQ Smart Knee, an advanced option for all ages designed to improve recovery, may help to overcome this challenge.  Despite proven safety and efficacy, factors such as neighbourhood and physical environment or access to healthcare may limit accessibility. Contraindications and other limitations associated with the failure of electronic components may further affect use. However, emerging research is focused on optimizing storage and device size, helping to address potential limitations and promote improved patient outcomes.
Interest in rhinoplasty and awareness of postoperative complications among female university students in Jazan, Saudi Arabia: a cross-sectional study
Authors: Mawkili Abduallah , Shawish Ali , Hobani Alhassan , Albarrati Ayman , Almalki Faisal , Mojiri Mohammed , Zalah Ali , Munhish Fadi , Alharbi Ali , Madkhali Hatem , Akkam Mohammed , Omar Yazan , Safhi Abdulrahman , Abdali Hussain
Published: May 2024

Objective: This study aimed to investigate the interest in rhinoplasty and the awareness of postoperative complications among female university students in Jazan, Saudi Arabia.
Methods: A cross-sectional study was conducted, employing data from a sample of 418 female college students at Jazan University. A convenience sampling technique was used to collect the data through an online validated questionnaire.
Results: The findings revealed that less than half (n = 192, 45.9%) of the participants had a good level of knowledge, while more than half (n = 226, 54.1%) had poor knowledge about rhinoplasty complications. The results revealed statistically significant associations between faculty, years of study, having a relative or friend who underwent a rhinoplasty, interest in rhinoplasty (p-values ≤ 0.05, 0.004*, 0.003*, 0.001*, 0.007, respectively), and the level of knowledge and awareness about rhinoplasty complications.
Conclusion: Generally, the number of female university students interested in rhinoplasty has been increasing substantially. The study revealed that less than half of the participants had a good knowledge of rhinoplasty complications. The students were aware of only the common complications and risks associated with the procedure of rhinoplasty.
Wojna w Ukrainie jako determinanta zmian w zachowaniach konsumenckich w Polsce i na świecie. Przykład rynków żywnościowych, nieruchomości oraz dóbr luksusowych
Authors:   Uniwersytet Wrocławski, Perchla‑Włosik Aleksandra , Wardzała Joanna ,   Uniwersytet Wrocławski
Published: May 2024

The war in Ukraine and global inflation are currently having a direct impact on the consumer behavior of both Poles and people around the world. This is confirmed by a number of research reports and statistical data. One can also observe this phenomenon in macroeconomic indi- cators. Ukraine is an important agricultural basin (including 10% of world wheat production and 50% of sunflower oil production), and Russia is blocking grain supplies through Ukrainian ports on the Black Sea. This supply glut is particularly felt in countries dependent on imports of Ukrainian grain and cooking oil, such as Egypt and India. The European real estate market, initially resistant to inflation and the war in Ukraine, is also starting to become more dynamic. Demand for luxury goods in Europe and the United States is growing despite a confluence of many negative factors that would seem expected to spoil consumer sentiment. The article will outline significant changes in consumer behavior with regard to the food, real estate and luxury goods markets, which represent the need for both companies’ marketing efforts and their sales strategies and consumers themselves to adapt to the “new” economic and social reality.
The Metaverse as a potential threat to democracy: virtual world, real consequence
Authors:   Chemnitz University of Technology, Łabuz Mateusz
Published: May 2024

The Metaverse, with its growing popularity, may significantly change the ways in which individuals and institutions use the Internet in the future. Several private companies and public institutions have already decided to open virtual headquarters to respond to the growing demand of customers. However, new opportunities are associated with many legal, social, and psychological challenges, and the problem of the extensive use of virtual reality must be considered in a multidimensional, interconnected way. The development of the Metaverse in the form proposed by the proponents of the new technology might lead to blurring of the boundaries between the real and virtual worlds. The potential transfer of a significant part of life to virtual reality requires pre‑emptive actions on the part of legislators and law enforcement authorities to prepare for the inevitable: the use of yet another channel of action for cybercrime. The aim of this article is to draw attention to the threats to democracy, security and privacy that might be associated with the development of the Metaverse and to discuss the ongoing national and international debates regarding the political and legal problems connected to the Metaverse. A careful analysis of both the threats and the debates allows for an informed response to the multidimensional challenges stemming from development of the Metaverse and helps to identify which institutions should play a key role in shaping this response.
The Turkmen Language Survival in the City of Erbil: A Sociolinguistic Study
Authors: Ibrahim Sangar Othman
Published: May 2024

The main aim of the current study is to shed light on the current status of the Turkmen language in the city of Erbil. The main research questions for the current study are: Is the Turkmen language in any danger of extinction in Erbil? Does the Kurdistan Regional Government have any role in surviving the Turkmen language as an ethnic minority language in Erbil? The Turkmen language in Erbil is believed to be safe from extinction as Turkmen people use it in daily life without facing political or social issues. In order to obtain data, an open-ended survey is used involving 60 Turkmen teachers and instructors at Turkmen Atabag primary and secondary school for girls, Fuzuli primary and secondary coeducational school, Oghuzkhan primary and secondary school for boys, Gharibi high school for girls, Imaddadin high school for boys, and the Turkish Department at Salahaddin University/ College of Languages. For analysing the achieved data, the researcher used a mixed methods research approach, encompassing both quantitative and qualitative methods. The researcher follows the work of Mühlhäusler (1992) as an adopted model. The current study concludes that the Turkmen language is not in any danger at all in the city of Erbil. Moreover, the Kurdistan Regional Government plays a great role in surviving the Turkmen language in the city of Erbil.
The Multidirectional Memory of Iraqi Holocaust: A Study of Yazidi Genocide in Dunia Mikhail’s The Bird Tattoo
Authors: Al-Dory Awfa Hussein
Published: May 2024

The present study examines Dunia Mikhail’s The Bird Tattoo (2023) as trauma fiction that contributes to the concept of memory in trauma studies. The study argues that Mikhail’s novel brings to the fore a history of subjugation and victimization inscribed upon the historical body of Sinjar and Nineveh’s memory like a tattoo. It further argues that The Bird Tattoo’s representation of different stories of suffering functions as a reflection of Michael Rothberg’s concept of multidirectional memory, which effectively features colonial trauma studies.  This argument is discussed alongside the poetics that the novelist in question relies heavily upon to project the bloody and overwhelming genocide committed by ISIS against Iraqi inhabitants during its terrorist existence in Nineveh during and after 2014. According to this context, the study aims to answer the following questions: how does Mikhail weave a coherent narrative structure in which raw materials are fueled by bloody conflict; and what is the function of such trauma fiction? These questions are answered through a critical approach that scrutinizes the aspects of colonial trauma with reference to the content and form of The Bird Tattoo.
THE INFLUENCE OF TECHNOLOGICAL FACTORS ON QUALITY OF INSTRUMENT STRUCTURES
Authors:   Scientific Institute named after Yu. M. Potebny of the Zaporizhia National University, Nebesniuk Oksana , Nikonova Alina ,   Scientific Institute named after Yu. M. Potebny of the Zaporizhia National University, Alekseevskiy Dmitriy ,   Scientific Institute named after Yu. M. Potebny of the Zaporizhia National University, Nikonova Zoya ,   Scientific Institute named after Yu. M. Potebny of the Zaporizhia National University
Published: May 2024

n the modern production of semiconductor devices and integrated circuits, epitaxial compositions are widely used: sili-con single-layer epitaxial structures, silicon inverted epitaxial structures and silicon structures with dielectric insulation. An urgent task is a thorough study of the defects of such structures and technological factors that significantly affect their quality at various stages of the manufacturing process.The purpose of the work is to study the dependence of the density of defects in the substrate and the built-up layer of silicon epitaxial compositions on technological factors and to develop a system that has increased resistance to electromigra-tion and at the same time prevents erosion of silicon in the contact windows.Substrates with a thickness of 260 μm with a crystallographic surface orientation made of single crystals of dislocation-free silicon with a resistivity of 10-50 Оm∙m were taken for the study. Defects in the structure were detected by selective etching and investigated using metallographic and scanning electron microscopes. Processing of the working side of the surface was also carried out: chemical-mechanical polishing with removal of a layer 1-2 microns and 20 microns thick; mechanical pol-ishing with diamond paste with a grain size of 1.0 μm and 5 μm. The processing of the non-working side of the substrates was also different: chemical-mechanical polishing, grinding, hetering -grinding with a free abrasive followed by shallow mechan-ical polishing. After growth, the epitaxial compositions were polished and grinded by chemical-mechanical polishing on both sides to a thickness of 80 μm on the substrate side and 170-180 μm on the side of the built-up layer.During research, the substrates were exposed to various technological factors. The obtained experimental results allow us to conclude that to produce semiconductor device structures based on epitaxial compositions with a low density of disloca-tions, it is necessary to use dislocation-free substrates that do not contain bands of A-type microdefects. All other things being equal, the best quality of epitaxial compositions is achieved by applying thorough chemical-mechanical polishing of the sub-strate on its working side and heterogenization on the reverse side.
A Symbolic and Ritualistic Exposition of Purification Rites in the Old Testament
Authors: Diko Mlamli
Published: May 2024

This article explores the intricate tapestry of symbolic and ritualistic elements interwoven in the purification rites of the Old Testament. Elucidating the ancient religious practises of the Israelites, this scholarly exposition unravels the profound significance and ethnological underpinnings of purification rituals as documented in sacred or biblical narratives. The Old Testament, a cornerstone of Judeo-Christian tradition, provides a rich repository of symbolic expressions and rituals designed to purify individuals and communities from impurities and sins. Through a meticulous scrutinisation of biblical references and historical context, this article unmasks the multifaceted interplay between symbolism and ritual in the Old Testament. To do this, symbolic and ritualistic theoretical frameworks are applied to the discourse. The findings and discussion show that the performative dimensions of purification rites highlight the importance of collective participation in spiritual purification, bolstering the communal responsibility for maintaining ritual purity. By navigating through the layers of symbolism and ritual, this scholarly discourse endeavours to offer a comprehensive understanding of how purification rituals serve as a profound expression of the Israelite religious philosophy, configuring their cultural identity and spiritual belief systems.
EFFECT OF SYNTHESIS MODES ON ELECTROCHEMICAL CHARACTERISTICS OF COMPOSITES BASED ON MULTI-WALLED CARBON NANOTUBES AND MANGANESE OXIDE DOPED WITH SILVER OXIDE
Authors:   Omsk State Technical University, Omsk, Russia, Nesov S. N. ,   Omsk Scientific Center SB RAS, Russia, Omsk, Russia, Stenkin Yu. A. ,   Omsk Scientific Center SB RAS, Russia, Omsk, Russia, Matushenko S. A. ,   Omsk State Technical University, Omsk, Russia,   Omsk Scientific Center SB RAS, Russia, Omsk, Russia, Lobov I. A. ,   Omsk State Technical University, Omsk, Russia,   Omsk Scientific Center SB RAS, Russia, Omsk, Russia, Ivlev K. E. ,   Omsk Scientific Center SB RAS, Russia, Omsk, Russia, Badamshin A. M. ,   Omsk State Technical University, Omsk, Russia
Published: May 2024

In this work, promising electrode materials for asymmetric supercapacitors based on multiwalled carbon nanotubes and manganese oxide doped with silver oxide were obtained and studied. To form the composites, the method of exposure of carbon material in an aqueous solution of potassium permanganate with the addition of silver nitrate in various quantities was used. It has been established that an increase in the amount of silver nitrate during the formation of the composite leads to an increase in the mass loading of the composite with both silver oxide and manganese oxide, which provides higher electrochemical characteristics of the material. The maximum specific capacity of the composite with a high content of manganese and silver was about 146 and 65 F/g at discharge current densities of 0.1 and 1.0 A/g, respectively. The high capacitive characteristics of the composite are ensured by a combination of the electrochemical activity of manganese oxide and the low electrical resistance of silver oxide.
UNCERTAINTY MODELS IN AUTOMATED COMPETENCE ASSESSMENT SYSTEM OF SPECIALISTS IN THE FIELD OF INFORMATION SECURITY
Authors:   Siberian Federal University, Krasnoyarsk, Russia, Vainshtein V. I. , Kucherov M. M. ,   Siberian Federal University, Krasnoyarsk, Russia, Shimanovich R. S. ,   Siberian Federal University, Krasnoyarsk, Russia
Published: May 2024

The article proposes a model of an automated system for assessing the formation of competencies of specialists in the field of information security based on Dempster-Shafer theory of evidence. The aim of the study is to improve the traditional approach to assessing learning outcomes. The rationale for the choice of methods for assessing the formation of competencies is presented.
THE HISTORY OF MODIFICATION OF THE CONTENT AND DESIGN OF TEXTBOOKS ON LANGUAGE AND LITERATURE IN CHINA
Authors: Anchukov Sergey V. , Yunyi Jia
Published: May 2024

The paper presents a retrospective analysis of the history of modifications in the content and design of textbooks on the Chinese language and literature for primary and secondary schools in the PRC. The conditions and nature of the formation of the academic discipline “Language and Literature” after the formation of the PRC (since 1949) are analysed. The authors of the paper identify and study new trends in the development of textbooks on the Chinese language and literature for primary and secondary school students at the beginning of the 21st century, and carry out a functional analysis of the educational products under consideration.
A photo-SAR study of photoswitchable azobenzene tubulin-inhibiting antimitotics identifying a general method for near-quantitative photocontrol
Authors: Reynders Martin , Garścia Małgorzata , Müller-Deku Adrian , Wranik Maximilian , Krauskopf Kristina , de la Osa de la Rosa Luis , Schaffer Konstantin , Jötten Anna , Rode Alexander , Stierle Valentin , Kraus Yvonne , Baumgartner Benedikt , Ali Ahmed , Bubeneck Andrei , Seal Trina , Steinmetz Michel , Paulitschke Philipp , Thorn-Seshold Oliver
Published: May 2024

Here, we performed photo-SAR studies in a series of photoswitchable tubulin inhibiting antimitotics, and discovered that fluorescent antenna motifs permit their single-photon photoisomerisation in biological conditions at up to >600 nm; we were also able to visualise the temporal onset of their long-term photopharmacological effects, using large-field-of-view microscopy. Previously, azobenzene analogues of the tubulin polymerisation inhibitor combretastatin A4 (PSTs) had been developed to optically control microtubule dynamics in living systems, with subsecond response time and single-cell spatial precision, by reversible in situ photoswitching of their bioactivity with near-UV/visible light. First-generation PSTs were sufficiently potent and photoswitchable for use in live cells and embryos. However, the link between their seconds-scale and hours-scale bioactivity remained untested. Here, we now used tandem photoswitching/microscopy to reveal the timing of onset of their long-term bulk cytostatic effects. Since the scope for modifications to tune their photo-structure-activity-relationship or expand PST function had been unknown, we then synthesised a panel of novel PSTs exploring structural variations that tune photoresponse wavelengths and lipophilicity, identifying promising blue-shifted analogues that are better-compatible with GFP/YFP imaging. Taken together, these results can guide new design and applications for photoswitchable microtubule inhibitors. Finally, we also identified tolerated sites for linkers to attach functional cargos, and tested them with fluorescent "antennas" as reporters. Serendipitously, we found that antennas can greatly enhance long-wavelength single-photon photoisomerisation, by a hitherto un-explored mechanism. This final result will drive progress towards near-quantitative long-wavelength photoswitching of photopharmaceuticals in living systems, with minimal molecular redesign and general application scope.
Uncovering Chemical Homology of Superheavy Elements: A Close Look at Astatine
Authors: Demidov Yuriy , Shalaevsky Alexander , Oleynichenko Alexander , Rusakov Alexander
Published: May 2024

The fascination with superheavy elements (SHE) spans the nuclear physics, astrophysics, and theoretical chemistry communities. Extreme relativistic effects govern these elements' chemistry and challenge the traditional notion of the periodic law. The experimental quest for SHE critically depends on theoretical predictions of these elements' properties, especially chemical homology, which allows for successful prototypical experiments with more readily available lighter homologs of SHE. This work is a comprehensive quantum-chemical investigation into astatine (At) as a non-intuitive homolog of element 113, nihonium (Nh). Combining relativistic coupled-cluster and density functional theory approaches, we model the behavior of At and AtOH in thermochromatographic experiments on a pristine gold surface. Insights into the electronic structure of AtOH and NhOH and accurate estimates of At–gold and AtOH–gold adsorption energies rationalize recent experimental findings and justify the use of At as a chemical homolog of Nh for the successful design of future experiments on Nh detection and chemical characterization.
Characteristic System Timescales Can Influence the Collective Sequence Development of Nematically Ordered Copolymers
Authors: Hamblin Ryan , Zhang Zhongmin , DuBay Kateri
Published: May 2024

The sequence of copolymers is of significant importance to their material properties, yet controlling copolymer sequence remains a challenge. Previously, we have shown that polymer chains with sufficient stiffness and intermolecular attractions can undergo an emergent, polymerization-driven nematic alignment of nascent oligomers during a step-growth polymerization process. Both the extent of alignment and the point in the reaction at which it occurs impacts the kinetics and the sequence development of the growing polymer. Of particular interest is the emergence of a characteristic block length in the ensemble of sequences, resulting in unusually peaked block length distributions. Here we explore the emergence of this characteristic block length in time and investigate how changes in activation energy, solution viscosity, and monomer density influence the sequence and block length distributions of stiff copolymers undergoing step-growth polymerization. We find that emergent aggregation and nematic ordering restricts the availability of longer chains to form bonds, thereby altering the propensity of chains to react in a length dependent fashion, which changes as the reaction progresses, and promoting the formation of chains and blocks of a characteristic length. Further, we demonstrate that the characteristic length scale which emerges is sensitive to the relative timescales of reaction kinetics and reactant diffusion, shifting in response to changes in the activation energy of the reaction and the viscosity of the solvent. Our observations suggest the potential for biasing characteristic lengths of sequence repeats in stiff and semi-flexible copolymer systems by targeting specific non-bonded interactions and reaction kinetics through the informed adjustment of reaction conditions and the selection or chemical modification of monomer species.
Detection of inverse stable isotopic labeling in untargeted metabolomic data
Authors: Liebergesell Tashi , Murdock Ethan , Puri Aaron
Published: May 2024

Stable isotopic labeling is a powerful tool for discovering natural products that incorporate precursors of interest and for determining the biosynthetic origin of metabolites. When isotopically substituted precursors are not available commercially or synthetically, inverse stable isotopic labeling (InverSIL) is a useful alternative. With InverSIL, an organism is grown on an isotopically substituted medium and then fed precursors of natural isotopic abundance which can be tracked by mass spectrometry, thereby bypassing issues with precursor availability. Currently, there is no automated way to identify precursor incorporation in untargeted metabolomic data using InverSIL without specifying an expected change in the mass-to-charge ratio of metabolites that have incorporated the precursor. This makes it difficult to identify unknown natural products that may incorporate portions of precursors of interest using new biochemistry, or to rapidly identify incorporation of multiple precursors into different metabolites simultaneously. To address this, we developed a new, robust workflow for the automated identification of inverse stable isotopic labeling in untargeted metabolomic data. We then use this method to identify metabolites that incorporate para-aminobenzoic acid and different portions of L-methionine, including in the same sample, and in the process discover the likely biosynthetic origin for the C-7 and C-9 methyl groups of the pterin portion of dephosphotetrahydromethanopterin; a C1 transfer coenzyme produced by methylotrophic bacteria. This workflow can be used in the future to streamline the use of the versatile InverSIL approach for natural product and metabolism research.
Putting the Squeeze on Valence Tautomerism in Cobalt-Dioxolene Complexes
Authors: Moggach Stephen , Summers Aston , Zahir Zahra , Hay Moya , Turner Gemma , Riboldi-Tunnicliffe Alan , Williamson Rachel , Boer Stephanie , Goerigk Lars , Boskovic Colette
Published: May 2024

Two isostructural cobalt complexes, [Co(Mentpa)(dbdiox)]+ (Mentpa = tris(2-pyridylmethyl)amine where n = 2 or 3, corresponding to successive methylation of the 6-position of the pyridine rings, dbdiox = 3,5-di-tert-butyl-1,2-dioxolene), were studied using single-crystal X-ray diffraction, and supported by density functional theory (DFT) calculations. The less sterically hindered dimethylated complex exhibits two-step thermally-induced interconversion between the high-spin CoII-seminquinonate and low-spin CoIII-catecholate forms (valence tautometrism) at 155 and 95 K due to the presence of two symmetry-independent complexes. In contrast, the more sterically hindered trimethylated complex does not display thermal valence tautomerism. Both complexes exhibit unique behaviour under high pressure. The dimethylated species undergoes gradual, one-step valence tautomerism in both symmetry-independent complexes concurrently between 0.43 GPa and 1.30 GPa. In the trimethylated species, pressure is sufficient to overcome steric hindrance, leading to one-step valence tautomerism between 2.60 GPa and 3.10 GPa; the first record of pressure-induced valence tautomerism in a thermally inactive complex.
Oxygen Activities Governing Structural Reversibility in Industrial Ni-Rich Layered Cathodes
Authors: Lee Gi-Hyeok , Lee Suwon , Zhang Jiliang , Rinkel Bernardine , Crafton Matthew , Zhuo Zengqing , Choi Youngju , Yang Junghoon , Heo Jongwook , Park Byungchun , McCloskey Bryan , Avdeev Maxim , Yang Wanli , Kang Yong-Mook
Published: May 2024

The chemical reactions and phase transitions at high voltages determine the electrochemical properties of high voltage layered cathodes such as Ni-rich rhombohedral materials. Here, we performed a comprehensive and comparative study of the cationic and anionic redox reactions, as well as the structural evolution of a series of industrial Ni-rich layered cathode materials with and without Al doping, which are being utilized in the cells made by LG Energy Solutions Co.. We combined the results from X-ray spectroscopy, operando electrochemical mass spectrometry, and neutron diffraction with electrochemical properties, and revealed the different oxygen activities associated with structural and electrochemical degradations. We show that Al doping suppresses the irreversible oxygen release thereby enhancing the reversible lattice oxygen redox resulting from the interplay between static (doped Al) and dynamic disorders (reversible oxygen redox). With this modulated oxygen activity, the Ni-rich cathode's notorious H2-H3 structural phase transition becomes highly reversible. Our findings disentangle the different oxygen activities during high-voltage cycling and clarify the role of dopants in the Ni-rich layered cathodes in terms of structural and electrochemical stability finally making all the cell makers get back to the fundamental investigation regarding whether high-Ni NCM chemistry (NCM811 or NCM 91/2 1/2) is substantially beneficial compared to its mid-Ni homologues (NCM622).
GRAM-SCALE ENZYMATIC SYNTHESIS OF 2'-DEOXYRIBONUCLEOSIDE ANALOGUES USING NUCLEOSIDE TRANSGLYCOSYLASE
Authors: Salihovic Admir , Ascham Alex , Taladriz-Sender Andrea , Bryson Samantha , Withers Jamie , McKean Iain , Hoskisson Paul , Grogan Gideon , Burley Glenn
Published: May 2024

Nucleosides are pervasive building blocks that are found throughout nature and used extensively in medicinal chemistry and biotechnology. However, the preparation of base-modified analogues using conventional synthetic methodology poses challenges in scale-up and purification. In this work, an integrated approach, involving structural analysis, screening and reaction optimisation, was established for the preparation of 2'-deoxyribonucleoside analogues catalyzed by the Type II nucleoside 2'-deoxyribosyltransferase from Lactobacillus leichmannii (LlNDT-2). Structural analysis, in combination with substrate profiling, identified the constraints on pyrimidine and purine acceptor bases by LlNDT2. A solvent screen identifies pure water as a suitable solvent for the preparation of high value purine and pyrimidine 2'-deoxyribonucleoside analogues on a gram scale under optimised reaction conditions. This approach provides the basis to establish a convergent, step-efficient chemoenzymatic platform for the preparation of high value 2'-deoxyribonucleosides.
(E)-Selective Weinreb Amide–type Horner–Wadsworth–Emmons Reaction: Effect of Reaction Conditions, Substrate Scope, Isolation of a Reactive Magnesium Phosphonoenolate, and Applications
Authors: Murata Takatsugu , Tsutsui Hisazumi , Shiina Isamu
Published: May 2024

An iPrMgCl-deprotonating Weinreb amide–type Horner–Wadsworth–Emmons (HWE) reaction was developed, and the effects of diverse reaction conditions, including the base, cation, solvent, and concentration, were investigated to broaden the substrate scope and achieve high (E)-selectivity. The Weinreb amide–type phosphonoenolate generated from iPrMgCl was found to be isolable, stable for at least over a half year, and applicable in the HWE reaction keeping high productivity and selectivity compared with the in situ generated phosphonoenolate. The results prompted us to perform an application study including successive elongation, synthesis of a biscyclopropane, and Weinreb ketone syntheses.
Beyond KRAS(G12C): biochemical and computational characterization of sotorasib and adagrasib binding specificity and the critical role of H95 and Y96
Authors: Mahran Randa , Kapp Jonas N. , Valtonen Salla , Champagne Allison , Ning Jinying , Gillette William , Stephen Andrew G. , Hao Feng , Plückthun Andreas , Härmä Harri , Pantsar Tatu , Kopra Kari
Published: May 2024

Mutated KRAS proteins are frequently expressed in some of the most lethal human cancers, thus having been a target of intensive drug discovery efforts for decades. Lately, KRAS(G12C) switch-II pocket (SII-P)-targeting covalent small molecule inhibitors have finally reached the clinical practice. Sotorasib (AMG-510) was the first FDA-approved covalent inhibitor to treat KRAS(G12C)-positive non–small cell lung cancer (NSCLC), followed soon by adagrasib (MRTX849). Both drugs target the GDP-bound state of KRAS(G12C), exploiting the strong nucleophilicity of the acquired cysteine. Here, we evaluate the similarities and differences between sotorasib and adagrasib in their RAS SII-P binding by applying biochemical, cellular, and computational methods. Exact knowledge on SII-P engagement can enable targeting this site by reversible inhibitors for KRAS mutants beyond G12C. We show that adagrasib is strictly KRAS- but not KRAS(G12C)-specific, due to its strong and unreplaceable interaction with H95. Unlike adagrasib, sotorasib is less dependent on H95 for its binding, making it a RAS isoform-agnostic compound. Our results emphasize the accessibility of the SII-P beyond oncogenic G12C and aid in understanding the molecular mechanism behind the clinically observed drug resistance, associated especially with secondary mutations on KRAS H95 and Y96.
Streamlining the Synthesis of Pyridones through Oxidative Amination
Authors: Botlik Bence , Weber Micha , Ruepp Florian , Kawanaka Kazuki , Finkelstein Patrick , Morandi Bill
Published: May 2024

Herein we report the development of an oxidative amination process for the streamlined synthesis of pyridones from cyclopentenones. Cyclopentenone building blocks can undergo in situ silyl enol ether formation, followed by the introduction of a nitrogen atom into the carbon skeleton with successive aromatisation to yield pyridones. The reaction sequence is operationally simple, rapid, and carried out in one pot. The reaction proceeds under mild conditions, exhibits broad functional group tolerance, complete regioselectivity, and is well scalable. The developed method provides facile access to the synthesis of 15N-labelled targets, industrially relevant pyridone products and their derivatives in a fast and efficient way.