bluuebunny/crossref_metadata_2025 huggingface dataset:
THE USE OF V.A. SUKHOMLINSKY’S PEDAGOGICAL HERITAGE IN THE PREPARATION OF FUTURE GEOGRAPHY TEACHERS FOR THE DEVELOPMENT OF ENVIRONMENTAL KNOWLEDGE AMONG STUDENTS
Authors:   Donetsk State University, Donetsk, Russia, Efimova A.U.
Published: December 2023

Nature is an important means of harmonious development of the child. Vasily Sukhomlinsky noted that “nature has a huge educational factor that leaves its imprint on the entire nature of the pedagogical process.” The development of environmental knowledge in geography lessons using the pedagogical heritage of V.A. Sukhomlinsky is relevant, we focus on the development of environmental knowledge, not ecological culture, we believe that ecology is a narrowly biological science, where the influence of the environment on living organisms and vice versa is considered. And Sukhomlinsky, after all, focused on nature protection. Therefore, it is necessary to develop environmental knowledge in geography lessons. Active communication with nature gives birth and strengthens a child’s priceless quality inherent in human personality, kindness. But how can a child experience the joy of the first discoveries when he enters the strange world around him? How to turn nature into a powerful means of educating humane feelings? And will the student be able to assimilate the connections between phenomena, to realize the dependence between natural objects? It turns out that maybe the easiest way to do this is observation. Children especially like to watch animals. Here noted very subtly A. Sukhomlinsky: it is necessary to develop in a child a careful and caring attitude towards helpless creatures that are so easy to offend, but, having protected them, you will feel kind and strong. V.A. Sukhomlinsky called the lessons journeys to the source of thinking and speech — to the wonderful beauty of nature. He advised to open a window into the world of beauty of the word gradually, so as not to overexert the child’s mind and not bother him.
IMPLEMENTATION OF V.A. SUKHOMLINSKY IN THE PRACTICE OF TRAINING FUTURE TEACHERS OF PHILOLOGY
Authors:   Donetsk State University, Donetsk, Russia, Kudreyko I.A.
Published: December 2023

Reforming the education system and changing the educational paradigm, due to a change in the system of value orientations of society in the conditions of industrialization, informatization, have identified the main directions for improving the educational process, among which the comprehensive and harmonious development of the younger generation is one of the priorities, since it is the basis for the formation of moral and ethical norms accepted in society. The didactic ideas of Vasily Alexandrovich Sukhomlinsky, an outstanding Russian teacher, whose implementation in the middle of the last century made it possible to educate a generation of conscious citizens, have not lost their relevance in modern society. This should especially apply to the training of future teachers, including teachers of philology, who should actively use the ideas of the national teacher V. A. Sukhomlinsky in their pedagogical activities. The actualization of the ideas of an outstanding teacher allows future teachers of philology to form a stable system of professionally significant values, the foundation of which is such personal qualities as love and respect for their wards, a sense of duty and justice, tolerance, patience, responsiveness, diligence, creative thinking, etc. The article describes the experience of introducing the ideas of an outstanding teacher into the practice of training future teachers of philology at Donetsk State University. Particular attention is paid to the formation of the following types of pedagogical activity among philologists: the implementation of the verbal method in teaching schoolchildren, which allows using the right words and intonation to find an approach to each student; attracting students to creative work, a characteristic feature of which is diversity in the search for solutions to achieve the goals; the application of an individual approach to each individual member of the student team, ensuring the development of his personal qualities, abilities and inclinations.
V.A. SUKHOMLINSKY ABOUT THE AGE FORMATION OF SCHOOLCHILDREN’S VALUE ORIENTATIONS. LOGIC, MECHANISMS, TECHNOLOGIES
Authors:   Orenburg State University, Orenburg, Russia, Kiryakova A.V. , Yuzhaninova E.R. ,   Orenburg State University, Orenburg, Russia, Moroz V.V. ,   Orenburg State University, Orenburg, Russia
Published: December 2023

The rich pedagogical heritage of V.A. Sukhomlinsky by virtue of its depth and uniqueness makes it possible to identify the axiological constants of pedagogy, relevant at each stage of society development. The purpose of this article is to reveal the logic of formation of value orientations of schoolchildren in the age aspect on the basis of V.A. Sukhomlinsky’s work experience as a teacher and director of Pavlyshskaya secondary school. To achieve this goal, the article addresses the following tasks: an attempt is made to identify those parts of V.A. Sukhomlinsky’s heritage that reflect the regularities of age and value development of schoolchildren; synthesis on their basis of the age logic of the formation of value orientations; filling the values realized in the pedagogical process by V.A. Sukhomlinsky with the content relevant for modern schoolchildren. In V.A. Sukhomlinsky’s pedagogical system it is possible to distinguish a special line of development of a schoolchild’s personality — age-specific features of the formation of his value orientations, which determine the subsequent life of a person: his future choices, successes and failures. The strength of V.A. Sukhomlinsky’s axiological ideas lies in building a system of school work on basic universal values, including the universal triad: Truth — Goodness — Beauty. Having proclaimed and realized first in the experience of his school and then in the pedagogical theory the cult of Book, Knowledge, Beauty, — he actually created a basic classification of values-objectives in pedagogy. According to the authors, this hierarchy of values of an adult can be relevant today, if we fill these values with actual content within the pedagogical process. The changed realities of the first third of the XXI century require the rejection of formal analysis of Sukhomlinsky’s heritage, since extrapolation of the great pedagogue’s ideas to the realities of the modern school in an unchanged form has become impossible. Gamification, neural networks and avalanche-like flow of information, which modern schoolchildren face, require adaptation of the great teacher’s ideas and change of approach to education, departure from value neutrality.
NEUROBICS AS A TOOL FOR DEVELOPING THE SKILL OF INTELLECTUAL WORK, OR ABOUT THE BENEFITS OF EDUCATING THE MIND OF A CHILD IN THE PEDAGOGICAL HERITAGE OF V.A. SUKHOMLINSKY
Authors:   Orenburg Regional Palace of Creativity for Children and Youth. V.P. Polyanichko, Orenburg, Russia, Mikhaleva E.S.
Published: December 2023

The article analyzes the pedagogical views of V. A. Sukhomlinsky on intellectual work and education of the mind; about the spiritual component of mental labor. The experience of using neuroscience as a tool for developing the skill of intellectual work of a teenager in the regional distance school “I am a citizen of Russia” on the basis of GAUDO OODTDM im. V.P. Polyanichko.
TECHNOLOGICAL POTENTIAL OF V.A. SUKHOMLINSKY’S PEDAGOGICAL SYSTEM OF MORAL EDUCATION
Authors:   Volgograd State University, Volgograd, Russia, Borytko N.M.
Published: December 2023

The author analyses the pedagogical system of moral education developed by V.A. Sukhomlinsky. The article shows the technological transition from the educational environment as a set of circumstances external to the student, which have a significant impact on his formation and development, to the educational space as a personal image of the environment, which forms the appropriate identity of a person, his image of self. At the same time, the features of the educational space are distinguished (an integral and highly conscious image of the self, which is characterized by integrity, consistency of elements; the identity of a person in his socio-cultural environment; the result of a person’s own work on himself, the result of constant efforts to be, to preserve his positive identity), the characteristics of pedagogical technologies (specificity of the goal; monitoring of activity; lawfulness; conditions of effectiveness), the features of educational technologies (focus on the emotional and social development of the person), and the characteristics of educational technologies (focus on the emotional and social development of the person). Based on this methodological framework, a conceptual analysis of a specific fragment of his pedagogical experience of moral education of children described in the work of V.A. Sukhomlinsky is carried out, its technological characteristics, including monitoring as a way of managing the process of realisation of the educational goal, are revealed, and the significance of V.A. Sukhomlinsky’s works for the professional development of a modern teacher and the technologisation of everyday pedagogical activity is determined. The educator does not offer in his works any specific pedagogical (educational) technologies, as it can be found in other authors. But he shows how to technologise his own daily activity, advancing to professional mastery, to the development of his professional style, which is much more important and effective. This is all the more important in the sphere of moral education, which is a particularly debatable issue today in the aspect of technologisation of pedagogical (educational) activity. In conclusion, some ideas of V.A. Sukhomlinsky, from the author’s point of view valuable in relation to the technologisation of moral education of modern children and youth, are offered.
Developing a Service for Collecting and Analyzing Electives Reviews
Authors: Krivorogov D. D. , Nizamov T. D. , Fazlyev A. А. , Hodyrev A. N. , Shusharin D. V. , Glazkova A. V.
Published: December 2023

This article provides a review of publications on the analysis of students’ satisfaction with the educational process based on natural language processing methods. 197 student feedback on 129 elective disciplines at University of Tyumen was collected. A comparative analysis of keyword extraction methods was conducted: statistical TF-IDF, RAKE and YAKE; contextual KeyBERT; graph-based TextRank. On the collected reviews, grouped by elective disciplines, the RAKE method had the highest F1 BERTScore with 79 %. By parsing open sources, a dataset with 2210 Russian-language reviews for courses of different educational platforms was formed. Machine learning methods for sentiment analysis were described: support vector machines, logistic regression and based on Transformers, comparison on the manually marked part of the collected reviews. After fine-tuning on the rubert-base-cased model macro-averaged F1- score became 71.6 %. Classification into three classes (negative, neutral, positive) is not performed for the whole text of the review, but separately for each sentence from that text. The implementation of a database and information system for collecting and analyzing student feedback on the studied elective courses are presented. The model for sentiment analysis of the feedback is put into a separate microservice, which is communicated through an interface of the freely distributed Python framework FastAPI. The information system is designed to help students choose electives based on more qualitative data, and teachers and university administration ‑ to draw conclusions for further transformation of the educational space, taking into account students’ opinions.
Modular Architecture of Advanced Driver Assistance Systems for Effective Traffic Sign Recognition
Authors: Kharchenko I. K. , Borovskoy I. G. , Shelmina E. А.
Published: December 2023

Analysis of modern approaches to the implementation of driver assistance systems, as well as the implementation of the architecture of the driver assistance system, aimed at recognizing traffic signs at the maximum distance from it under difficult weather conditions, for early feedback to the driver. The paper considers the main signals used in the implementation and operation of the driver assistance system: data from the car's CAN bus, information from a GPS receiver, video fragments from a digital camera. The presented modular architecture uses the listed data sources for estimating the traffic situation, as well as neural network methods for recognizing traffic signs. The modular architecture of the driver assistance system is presented, which allows notifying the driver about traffic signs. The system is equipped with lane boundary control to alert the driver to signs related to the adjacent carriageway when turning. It has been experimentally proven that the modular architecture of the driver assistance system presented in the paper is not inferior in speed and accuracy to alternative systems, acting as a comprehensive autonomous solution.
Critérios para diagnóstico da Hipomineralização Molar-Incisivo
Authors: Cunha Amanda Assunção da , Guidoni Ana Paula Martins , Gomes Ana Maria Martins , Sarmento Lilian Citty
Published: December 2023

Objetivo: Buscar evidências na literatura sobre a Hipomineralização Molar-Incisivo (HMI) a fim de identificar os critérios utilizados para o diagnóstico. Métodos: O estudo consiste em uma revisão integrativa da literatura realizada a partir da formulação da seguinte pergunta clínica: quais os critérios utilizados para o diagnóstico da Hipomineralização Molar-Incisivo? A busca foi conduzida nas bases de dados Pubmed e Lilacs, sendo incluídos os artigos em inglês, português e espanhol, dos últimos 10 anos. O resultado da busca resultou na pré-seleção de 48 artigos. Resultados: Após o processo de busca, triagem, seleção e leitura a amostra final desta revisão foi constituída por 30 artigos científicos. O diagnóstico da HMI é normalmente determinado pelo exame visual, os critérios EAPD 2003/2009 são os mais usuais para a classificação e abordam as características clínicas da HMI e determinam-na em leve ou grave. Ainda, outros métodos mais recentes ou menos usuais foram elaborados. Considerações finais: Os critérios utilizados para classificação da HMI compreendem a avaliação das características clínicas e a severidade. A presença de opacidades demarcadas no esmalte dentário são norteadoras no diagnóstico diferencial dos demais defeitos que afetam o esmalte dentário. A HMI representa um desafio na prática clínica necessitando de manejo adequado.
Stereotactic intensity-modulated radiotherapy for skull base meningioma using the HybridArc with Novalis STx system
Authors: Shuto Takashi , Matsunaga Shigeo , Sasame Jo
Published: December 2023

Background:

Skull base meningiomas are often difficult to remove completely with preserved nerve function and may require radiation therapy. However, the Gamma Knife is unsuitable for large tumor volume or the optic nerve, which is difficult to identify on imaging. We report the results of stereotactic radiotherapy with HybridArc using Novalis STx for skull base meningiomas.

Methods:

We retrospectively examined 28 patients with skull base meningioma who underwent stereotactic radiotherapy (54 Gy/30 fractions) with HybridArc.

Results:

The 28 patients, nine males and 19 females, were aged 31–83 years (mean 58.4 years), and the tumor volume was 2.6–97.1 mL (mean 29.7 mL). HybridArc irradiation was performed with D95 54 Gy/30 fractions for all patients with a median follow-up period of 36.0 months (range: 12–78 months). Tumor control rates at 1, 2, and 5 years after radiotherapy were 92.6%, 89.1%, and 82.8%, respectively. Only one non-atypical meningioma remained uncontrolled; thus, the tumor control rate for non-atypical meningioma at 1, 2, and 5 years was 94.1%. Tumor control rates for atypical meningioma at 1, 2, and 5 years were 85.7%, 71.4%, and 53.6%, respectively, significantly worse than for non-atypical meningiomas (P = 0.0395). Radiation injury was observed in two cases (7.1%). Visual field defects were observed in 16 patients, and diplopia in 6. Visual field and diplopia improvements were achieved in 5 and 2 patients, respectively (with overlap).

Conclusion:

Stereotactic radiotherapy (54 Gy/30 fractions) with HybridArc using Novalis STx is a safe and effective approach for relatively large skull base meningiomas.
In silico molecular docking studies of 2, 4 and 2, 6-di-tert-butylphenol against NAGK and SPP1 proteins to recuperate rheumatoid arthritis
Authors: Singh S. , Qidwai T. , Singh S.
Published: December 2023

Rheumatoid arthritis (RA) is a chronic autoimmune disorder that primarily affects the synovial joints. It is connected to progressive disability, early death and socioeconomic burdens. So, there is an urgent need to develop novel drugs that effectively treat patients at each stage of disease progression. N-acetylglucosamine kinase (NAGK) and secreted phosphoprotein 1(SPP1) are two attractive drug targets for RA. NAGK protein converts endogenous N-acetyl-D-glucosamine (GlcNAc) into GlcNAc 6-phosphate. GlcNAc has suppressive effects on experimental RA in mouse models. SPP1 stimulates the synthesis of a key proinflammatory cytokine implicated in the pathogenesis of RA. In order to design new drug candidates, crystal structure of human NAGK (PDB Id: 2CH5) was retrieved from the protein data bank. Amino acid sequence of SPP1 (Uniprot Id: P10451) was retrieved from uniprot database and modeled by the Phyre2 server. Computed SPP1 model energy was minimized using the YASARA energy minimization server and validated by the Ramachandran plot and the ProSA-web error-detection tool. 2, 4-Di-tert-butylphenol and 2, 6-Di-Tert-butylphenol are known compound isolates from bark extract of Schleichera oleosa having anti-arthritic and anti-inflammatory activities as accessed by PASS online server. These compounds were docked against active site of NAGK and SPP1 proteins using MTiAutoDock server. The binding affinity of these compounds against NAGK and SPP1 proteins ranges from -6.12 to -7.17 kcal/mol. The findings of this study will open the way for the development of herbal remedies for rheumatoid arthritis based on the Schleichera oleosa plant, potentially leading to the development of novel drugs.
Causes and factors of deindustrialization in old industrial regions
Authors: Myasnyankina O. V. , Zaitsev A. A.
Published: December 2023

The subject of the study is the process of deindustrialization in the regions of the Central Federal District of Russia (hereinafter – CFD) and a set of causes and factors that determine industrial production reduction dynamics. The purpose of the study is to determine algorithms of industrial production recovery depending on the identified factors and causes of deindustrialization. Statistical groupings, analysis and synthesis method, comparative analysis of deindustrialization processes in the CFD regions were used as a methodology. Exclusive ways to restore industrial production in the CFD regions have been identified: innovation transfer based on the experience of techno-zones, special economic zones, territories of advanced development, and technoparks; integrated use of natural resources; modernization of high-tech industries; industrial agglomerations development in the peripheral territories of the federal subjects. The results of the study can be applied in the process of building strategic plans for revival of industrial production, first of all, when ensuring import substitution and strengthening the country’s defense capability. The process of deindustrialization is influenced by a group of factors that should be considered when establishing original sequence of strategic measures to revive industrial production.
Perspective directions of organizational management development
Authors: Mitrofanova I. P. , Alekseeva A. S.
Published: December 2023

The problem of quality management with the emergence of new resources and opportunities should always be associated with the processes of organizations continuous improvement, for which it is important to create sustainable value with ecosystem orientation and quality management in all areas of activity through the application of best practices, standards, methodologies, and improvement tools. The article highlights methods of building a successful organization based on the newly built EFQM model of quality. The new ideology of the improvement model has been analyzed and main components of organization’s ecosystem highlighted. The purpose of the study is to identify and formulate key areas of organizations improvement in modern world considering main characteristics of an “outstanding organization” according to the EFQM 2020 model. The authors focus on the extended model of organization management and demonstrate that integration of such a quality model as a management system with improvement models gives organizations the opportunity to obtain greater effectiveness.
The concept, essence and role of student project activities and project management office placement in the structure of its management
Authors: Gromova A. I. , Pavlovsky P. V.
Published: December 2023

The article studies peculiarities of project activity organization in educational organizations of higher education. The relevance of the study is determined by higher education organizations’ interest in introducing and developing project activity and using concepts related to it. The concept of project is used by higher education organizations not in its direct meaning, but to reflect students’ practical activity. The article describes peculiarities of university-based project office functioning and their tasks. Justifications for involving third-party organizations such as outsourcing to implement functions of the upper management level of project management office have been given. The authors resort to scientific literature and other official sources that confirm correctness and validity of their arguments.
Higher education system placement in the innovation sphere in solving staffing innovative economy problem. Part I
Authors: Kafiyatullina Yu. N. , Prokhorova I. S.
Published: December 2023

The article analyzes specifics of training personnel in innovation management in Russia. The object of the study is the direction of the Innovation training, which implements the methodology of training specialists in innovation management in all spheres of economy. The purpose of the article is to assess compliance of the training methodology in innovation management with the requirements of the modern concept of practice-oriented education and conducting fundamental and applied research in universities that are in demand in innovative economy. The objective is to formulate the problem of implementing such requirements for higher education system as adaptability of graduates and their ability to implement projects and facilitate innovative development. The research is based on the application of Basadur’s simplex method to solve non-standard management problems and forms of comprehensive understanding of training personnel problems and use of professional competencies of innovation manager in the project education methodology for entrepreneurial university model implementation. As a result, the task of forming a technical universities collaboration with a pool of technological uncommercial startups has been formulated, as well as with universities that train innovation managers as specialists in promoting a startup to market.
Impact of sanctions on the development of the gas industry in Russia
Authors: Aksenov P. A.
Published: December 2023

The relevance of the study is conditioned by the following facts. The gas industry is an important structural component of the Russian economy. It not only contributes significant funds to the federal budget, but also affects economic growth rate, production potential, and development of scientific and technological progress. In the situation when anti-Russian sanctions are imposed, it becomes necessary to preserve the revenues received, projects underway and switch to new markets, analyzing the totality of risks that companies may face. In this regard, it is particularly important to study impact of sanctions on the Russian gas industry development and prospects for it in the current realities. The subject of the article is main trends in the gas industry development under sanctions. The purpose of the research is to study the specifics of the sanctions impact on the Russian gas industry development. The methodology used was the analysis of Internet resources corresponding to the research topic, statistical data, its synthesis, and generalization. The main results of the research are studying trends, specifics and prospects for the gas industry development in the context of introducing anti-Russian sanctions and defining the sanctions risk as one of the most important ones. The results obtained can be applied in assessing future development trends of the Russian gas industry considering the current situation, as well as in educational process. The prospects for further research on this topic include studying specifics of various risks impact on the Russian gas industry development and forming recommendations for hedging and managing them.
Structure-Function Relationships in Pure Archaeal Bipolar Tetraether Lipids
Authors: Bhattacharya Ahanjit , Falk Isaac D. , Moss III Frank R. , Weiss Thomas M. , Tran Khoi N. , Burns Noah Z. , Boxer Steven G.
Published: December 2023

Archaea, the third fundamental domain of life are distinguished from bacteria and eukaryotes due to the presence of unique lipids in their cell membranes. Archaeal bipolar lipids are among the most unusual lipids occurring in nature because of their presumed ability to span the entire membrane. They are challenging to extract in pure form from natural sources or synthesize chemically, and as a result, prior studies on pure lipids have been limited. Here we have utilized synthesis to enable in-depth biophysical investigations on a series of archaeal glycerol dialkyl glycerol tetraether (GDGT) lipids having symmetric or unsymmetric combinations of polar head groups. We showed that these lipids self-assemble to form membrane-bound vesicles in aqueous media, encapsulate polar molecules, and reconstitute a functional integral membrane protein. Membrane thicknesses and electron density profiles were investigated by performing small-angle X-ray scattering (SAXS) studies and cryogenic electron microscopy (cryo-EM) imaging on unilamellar vesicles of GDGT lipids. SAXS studies on bulk aqueous dispersions of GDGT lipids over a large temperature range (10-90 °C) allowed us to identify lamellar and non-lamellar phases and their interconversions under various buffer conditions. We also studied how the propensity to form various mesophases is reflected in the functional behavior of the GDGT membranes. Specifically, we asked whether vesicles overwhelmingly composed of GDGTs can undergo fusion as it is difficult to conceptualize such behavior with the assumption that such membranes have a monolayer structure. Interestingly, we observed that GDGT vesicles undergo fusion with influenza virus with lipid mixing kinetics comparable to that with vesicles composed of typical monopolar phospholipids. Our results suggest that GDGT membranes may consist of regions with a bilayer structure which facilitates fusion and thus offer insight into how archaea may perform important physiological functions that require dynamical membrane behavior.
A theoretical study on the photocatalytic activity of g-C3N4/CoN4 for water splitting reaction
Authors: V N Dhilshada , Chandran Aiswarya , Sen Sabyasachi , Chattopadhyaya Mausumi
Published: December 2023

Density functional theory was employed to calculate the photocatalytic activity of the gC3N4/CoN4 heterojunction. g-C3N4 is a semiconductor and CoN4 is a half metal, eventually the resultant heterojunction is half metallic in nature. The metallicity originates from the spin down channel of the g-C3N4/CoN4 heterojunction while the spin up channel behaves as a semiconductor. The stability of the heterojunction was confirmed by calculating the formation energy from its isolated analogs. Charge density analysis and work function calculation suggests a substantial amount of charge transfer in g-C3N4/CoN4 heterojunction and the direction of charge transfer was found to be from g-C3N4 to CoN4 unit. The optical absorption of the nanocomposite was found to be significantly enhanced in the UV-visible region in comparison to g-C3N4 and CoN4. In g-C3N4/CoN4, the valence band maximum (VBM)(+1.42V) exhibits a more positive potential compared to O2/H2O(+1.23V) on the NHE scale, while the conduction band minimum (CBM)(-0.38V) displays a more negative potential than that of H+ /H2(0V) on the NHE scale. Consequently, this heterojunction can be effectively utilized for water splitting. Finally, details of band structure, density of states and band edge position determining calculations confirm that g-C3N4/CoN4 composite forms type 1 heterojunction, making it a suitable photocatalyst for water splitting reaction. The state-of-theart theoretical modeling of g-C3N4/CoN4 heterojunction is the first theoretical study incorporating CoN4 crystal.
Direct Observation of Polaritonic Chemistry by Nuclear Magnetic Resonance Spectroscopy
Authors: Ebbesen Thomas , Patrahau Bianca , Piejko Maciej , Mayer Robert , Antheaume Cyril , Sangchai Thitiporn , Ragazzon Giulio , Jayachandran Anjali , Devaux Eloise , Genet Cyriaque , Moran Joseph
Published: December 2023

Polaritonic chemistry is emerging as a powerful approach to modifying the properties and reactivity of molecules and materials. However, probing how the electronics and dynamics of molecular systems change under strong coupling has been challenging due to the narrow range of spectroscopic techniques that can be applied in situ. Here we develop microfluidic optical cavities for vibrational strong coupling (VSC) that are compatible with nuclear magnetic resonance (NMR) spectroscopy using standard liquid NMR tubes. VSC is shown to influence the equilibrium between two conformations of a molecular balance sensitive to dispersion forces, revealing a clear change in the equilibrium constant under VSC. In all compounds studied, VSC does not induce detectable changes in chemical shifts, J-couplings, or spin-lattice relaxation times. This unexpected finding indicates that VSC does not substantially affect molecular electron density distributions, and in turn has profound implications for the possible mechanisms at play in polaritonic chemistry under VSC and suggests that the emergence of collective behavior is critical.
Fluorosulfide La2.7Ba6.3F8.7S6 with Double-Layer Honeycomb Structure Enabling Fluoride-Ion Conduction
Authors: Tachibana Shintaro , Zhong Chengchao , Tojigamori Takeshi , Miki Hidenori , Matsunaga Toshiyuki , Orikasa Yuki
Published: December 2023

Mixed-anion compounds comprise anion-ordered layered structures with fluoride ionic conducting layers, which are not found in conventional metal fluorides. Hence, they represent a new frontier in the search for fluoride-ion conductors. Previous studies investigated only mixed-anion compounds with known crystal structures, but failed to exploit a flexible structural design. In this study, we performed a materials search based on the ternary phase diagram of BaS-LaF3-BaF2 for new fluorosulfide phases and found an unreported fluorosulfide, La2.7Ba6.3F8.7S6, showing the fluoride ion conductivity of 4.23×10−7 S cm−1 at 343 K. La2.7Ba6.3F8.7S6 forms an anion-ordered two-dimensional crystal lattice with double-honeycomb (La-Ba)F2 fluoride-ion-conducting layers, which cannot be realized in single-anion compounds. In the (La-Ba)F2 layers, the fluoride ion conduction is realized through normal F1 site and interstitial F2 site via a vacancy mechanism. The presence of sulfide ions in the crystal structure contributes to the spreading of (La-Ba)F2 layers along the ab plane, resulting in a longer La-F distance. Material development using a systematic phase diagram search on fluorosulfides allows to increase the variation of the crystal structure for fluoride ion conductors and to discover the novel fluoride ion conducting layers that are inaccessible to single anion compounds.
Experimental design of blending samples to increase precision of 1H NMR urine metabolomics
Authors: Bay Nord Anders , Lindqvist Helen , Rådjursöga Millie , Winkvist Anna , Karlsson Göran , Malmodin Daniel
Published: December 2023

Urine is an equally attractive biofluid for metabolomics analysis as it is a challenging matrix analytically. Accurate urine metabolite concentration estimates by Nuclear Magnetic Resonance are hampered by pH and ionic strength differences between samples resulting in large peak shift variability. Here we show that calculating spectra of original samples from mixtures of samples using linear algebra reduces the shift problems and makes various error estimates possible. Since the use of 2D NMR to confirm metabolite annotations is effectively impossible to employ on every sample of large sample sets, stabilization of metabolite peak positions increases the confidence in identifying metabolites, avoiding the pitfall of oranges-to-apples comparisons.
Exploring the Adsorption Mechanisms of Neurotransmitter and Amino Acid on Ti3C2-MXene Monolayer: Insights from DFT Calculations
Authors: Özdemir İlkay , Arkin Handan , Milosovic Milorad , Barth Johannes V. , akturk ethem
Published: December 2023

In this study, we conducted a systematic density functional theory (DFT) investigation of the interaction between Ti3C2-MXene monolayer and biological molecules dopamine (DA) and serine (Ser) as neurotransmitter and amino acid, respectively. Our calculations show good agreement with previous literature findings for the optimized Ti3C2 monolayer. We found that DA and Ser molecules bind to the Ti3C2 surface with adsorption energies of −2.244 eV and −3.960 eV, respectively. The adsorption of Ser resulted in the dissociation of one H atom. Electronic density of states analyses revealed little changes in the electronic properties of the Ti3C2-MXene monolayer upon adsorption of the biomolecules. We further investigated the interaction of DA and Ser with Ti3C2 monolayers featuring surface-termination with OH functional group, and Ti-vacancy. Our calculations indicate that the adsorption energies significantly decrease in the presence of surface termination, with adsorption energies of −0.097 eV and −0.330 eV for DA and Ser, respectively. Adsorption energies on the Ti-vacancy surface, on the other hand, are calculated to be −3.584eV and −3.856eV for DA and Ser, respectively. Our results provide insights into the adsorption behavior of biological molecules on Ti3C2-MXene, demonstrating the potential of this material for biosensing and other biomedical applications. These findings highlight the importance of surface modifications in the development of functional materials and devices based on Ti3C2-MXene, and pave the way for future investigations into the use of 2D materials for biomedical applications.
DSDPFlex: An Improved Flexible-Receptor Docking Method with GPU Acceleration
Authors: Dong Chengwei , Huang YuPeng , Lin Xiaohan , Zhang Hong , Gao Yi Qin
Published: December 2023

Virtual screening constitutes an indispensable phase in the pharmaceutical industry. Among the different methods, the most popular docking strategy, semi-flexible docking (rigid-receptor and flexible-ligand model), ignores the conformational changes of proteins. When the binding interaction between ligands and proteins adheres to an "induced-fit" paradigm, fully flexible methods such as molecular dynamics simulation are needed, but they can be computationally demanding. In an effort to strike a balance between computational speed and precision, flexible docking techniques, as exemplified by AutoDock Vina and AutoDockFR, treat selected protein side chains as flexible parts. However, these methods are still not fast enough in high throughput virtual screening tasks, and some of the algorithms are not specifically optimized for flexible-receptor sampling. In this work, we propose DSDPFlex, an improved receptor-flexible docking method. We accelerated the flexible docking process using GPU parallelization. We also implemented optimizations with respect to sampling, scoring, and search space to prevent redundant search and false-positive solutions, to further improve the efficiency and accuracy. To estimate the performance of DSDPFlex, a cross-docking dataset was constructed. Upon cross-docking tests, DSDPFlex obtained a 19.1% top-1 success rate, which is higher than AutoDock Vina, and the average runtime is ~1 second per task, representing a ~250-fold acceleration with respect to Vina. The generalizability of the method is validated on other commonly used test sets; the adaptability to different systems is also discussed. With improvement in both speed and accuracy, DSDPFlex is expected to show potential in docking-based studies.
Amplification in the Uncertainty of the Yield and Recovery for a Steady-State Mineral Separator calculated using the Two-Product Formula
Authors: Iveson Simon , Galvin Kevin
Published: December 2023

This paper presents a simple relationship for estimating the uncertainty in the overall yield (Y) and species recovery (Ri) when the two-product formula is applied to assays of the feed, product and tailings streams of a steady-state mineral separator. The non-linearity of the two-product formula means the reliability of these yield and recovery values can vary significantly. Monte Carlo simulations were used to investigate the uncertainty in the yield and recovery relative to the uncertainty in the raw assay data, referred to as the yield error amplification and recovery error amplification respectively. All assays were assumed to have the same relative uncertainty. We used a transformation of the data set to produce a simple analytical expression to describe these two error amplifications, which are ~ sqrt(2)(1 – Y)/|Ri – Y| and sqrt(2)(1 – Ri)/|Ri – Y| respectively for the yield and recovery. These equations enable practitioners to estimate the uncertainty in the yield and recovery values calculated using the two-product formula.
Non-Stereotypical Distribution and Effect of Ergosterol in Lipid Membranes
Authors: Qian Shuo , Nagy Gergely , Zolnierczuk Piotr , Mamontov Eugene , Standaert Robert
Published: December 2023

Sterols are an important class of lipids that regulate many biological processes. Among them, ergosterol in fungi and some protists is surprisingly understudied compared to cholesterol from animal membranes. Based on their similarity in chemical structure, ergosterol is assumed to modulate membrane in the similar fashion as cholesterol. In this study, however, we revealed very different interaction between ergosterol and lipid membranes. Using Neutron Membrane Diffraction, we found ergosterol is embedded much shallower than cholesterol in the bilayer. It doesn’t change the membrane thickness as much, indicating little condensation effect. From Neutron Spin Echo spectroscopy, we found ergosterol actually can both rigidify and soften membranes at different concentrations. The Quasi Elastic Neutron Scattering measurement of lateral lipid diffusion indicates that ergosterol promotes a jump diffusion of POPC, while cholesterol keeps the same continuous lateral diffusion mechanism as in the pure POPC membrane. All those results point to quite distinct interactions of ergosterol with membranes as compared to cholesterol. These structural and dynamical insights provide basic understandings for the properties of membranes containing ergosterol, as well as the implication for lipid rafts and drug interaction in those membranes.
Implementation of a tax and one hundred per cent dividend scheme as a means for New Zealand to address greenhouse gas emissions
Authors: Revell Laura
Published: December 2023

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Hubungan Serumen Obsturan dengan Kurang Pendengaran Tipe Konduktif pada Pelajar SD Negeri Rowosari 01 Semarang
Authors: Sari Astin Prima , Gunadi Gunadi , Handiani Riska
Published: December 2023

Latar Belakang: Serumen merupakan kombinasi dari sekresi kelenjar sebasea, kelenjar seruminosa, dan epitel kulit yang terlepas yang terdapat pada bagian kartilaginosa liang telinga. Serumen obsturan dapat menyebabkan oklusi sehingga terjadi gejala kurang pendengaran tipe konduktif (CHL). Tujuan dari penelitian ini adalah untuk menginvestigasi hubungan serumen obsturan dengan kurang pendengaran tipe konduktif pada pelajar SD Rowosari 01 Semarang.Metode: Penelitian ini menggunakan metode analitik observasional dengan pendekatan cross sectional. Subyek pada penelitian ini adalah pelajar kelas 4, 5 dan 6 SD Rowosari 01 Semarang sebanyak 50 orang. Penilaian adanya serumen obsturan menggunakan otoskop dan pengukuran tingkat pendengaran menggunakan tes audiometri. Hubungan kejadian serumen obsturan dengan kurang pendengaran  tipe konduktif  dianalisa menggunakan uji chi-square dengan confidence interval sebesar 95%.Hasil: Sebanyak 50 responden, didapatkan 22 serumen telinga kanan dan 3 orang diantaranya mengalami kurang  pendengaran tipe  konduktif derajat  ringan di telinga kanan. Didapatkan pula 36 serumen telinga kiri, dan 5 diantaranya mengalami kurang pendengaran tipe konduktif derajat  ringan pada  telinga kiri. Hasil  analisis uji statistik menunjukkan tidak ada hubungan yang signifikan antara kejadian serumen obsturan dengan kurang  pendengaran konduktif  pada telinga kanan (p = 0,079) dan telinga kiri (p = 0,304).Kesimpulan: Tidak terdapat hubungan yang signifikan antara kejadian serumen obsturan dengan kurang pendengaran tipe konduktif pada pelajar SD Rowosari 01 Semarang.
Potensi Ekstrak Buah Pare (Momordica Charantia L) dalam Menurunkan Kadar SGPT Tikus Wistar yang Diberi Repeatedly Used Deep Frying Oils
Authors: Latifah Yovita Nur , Nugraheni Dyah Mustika , Kurniati Ika Dyah
Published: December 2023

Latar Belakang: Penggunaan repeatedly used deep frying oils menyebabkan stres oksidatif yang memicu inflamasi dan kerusakan sel hati. Kadar SGPT yang meningkat merupakan penanda kerusakan fungsi hati. Buah pare diketahui memiliki kandungan flavonoid, polifenol, saponin, dan alkaloid. Kandungan tersebut berpotensi menurunkan kadar SGPT dalam darah. Penelitian ini dilakukan untuk mengetahui pengaruh pemberian ekstrak buah pare terhadap penurunan kadar SGPT pada tikus yang diberi repeatedly used deep frying oils.Metode: Rancangan yang digunakan adalah post test only control group. Tiga puluh ekor tikus wistar jantan terbagi dalam 5 kelompok yaitu: K-, K+, P1, P2 dan P3. Kelompok K- hanya diberi pakan standar. Kelompok K+ diberi repeatedly used deep frying oils 0,42ml/200grBB tikus/hari,  P1 diberi ekstrak buah pare 30mg/200grBB tikus/hari, P2 60mg/200grBB tikus/hari, dan P3 120mg/200grBB tikus/hari. Kelompok P1, P2, dan P3 selanjutnya diberikan repeatedly used deep frying oils. Perlakuan dilakukan selama 30 hari. Rerata kadar SGPT dianalisis dengan One Way ANOVA yang dilanjutkan dengan Post Hoc LSD.Hasil: Rerata kadar SGPT kelompok K-, K+, P1, P2 dan P3 bertutut-turut adalah 29,164 IU/L 67,771 IU/L; 26,942 IU/L; 24,720 IU/L; dan 23,054 IU/L.  Uji beda rerata kadar SGPT antar kelompok didapatkan nilai p=0,000 (p<0.05) dengan uji Post Hoc LSD didapatkan perbedaan bermakna pada K- dengan K+ (p=0,000), K+ dengan P1 (p=0,000), K+ dengan P2 (p=0,000), K+ dengan P3 (p=0,000).Kesimpulan: Pemberian ekstrak buah pare berpotensi menurunkan kadar SGPT pada tikus wistar yang diberi repeatedly used deep frying oils.
O histerycznej naturze Róży Żabczyńskiej
Authors: Hendrysiak Paulina
Published: December 2023

Artykuł stanowi próbę zastosowania psychoanalitycznej metody diagnostycznej stworzonej przez Nancy McWilliams wobec postaci fikcyjnej – Róży Żabczyńskiej, bohaterki książki Marii Kuncewiczowej Cudzoziemka. W pierwszej części publikacji zebrane zostały ogólne rozważania na temat tradycji badań psychologicznych nad tekstem literackim oraz zastosowania klasycznej wiedzy psychoanalitycznej w literaturoznawstwie. Następnie przeprowadzona została analiza wykorzystania literatury w praktyce psychologicznej. Przedstawiono również potencjał interakcji między dwoma dziedzinami nauki: psychologią i literaturą. Stworzono także studium przypadku protagonistki: Róży Żabczyńskiej przy zastosowaniu psychoanalitycznej metody diagnostycznej. Konkluzja artykułu wskazuje na zasadność zastosowania danego narzędzia psychoanalitycznego do diagnozy postaci literackich.
Wspomnienia Jana Schwarza (Szwarca) – pedagoga, psychologa, organizatora Państwowej Wyższej Szkoły Pedagogicznej w Gdańsku – jako źródła do biografii zawodowej
Authors: Siekierska Anna
Published: December 2023

Niniejszy tekst prezentuje wspomnienia pozostawione przez Jana Schwarza (1901– 1988) oraz ich wartość jako źródła dotyczące przebiegu kariery tytułowego bohatera. Prezentowane wspomnienia pochodzą ze zbiorów oddziału muzeum Pedagogicznej Biblioteki Wojewódzkiej w Gdańsku. We wspomnieniach Schwarz opisuje głównie swoją działalność związaną z pracą pedagoga oraz psychologa, począwszy od roku 1920, kiedy zatrudniony został w szkole powszechnej w swojej rodzinnej miejscowości, a na latach 60. XX wieku kończąc. W trakcie swojej kariery Schwarz uczestniczył m.in. w organizacji Instytutu Psychotechnicznego w Poznaniu. Ponadto był założycielem i kierownikiem Państwowego Pedagogium w Toruniu (działającego od 1937 roku), mającego kształcić wysoko kwalifikowanych nauczycieli szkół powszechnych. W czasie wojny prowadził tajne nauczanie, a po jej zakończeniu został oddelegowany przez ministra oświaty do odbudowy szkolnictwa w Gdańsku, w którym podjął się organizacji Państwowego Pedagogium – przekształconego następnie w Państwową Wyższą Szkołę Pedagogiczną.
Cel badania przyczyn i okoliczności wypadków morskich
Authors: Małczyński Michał
Published: December 2023

Celem artykułu jest wykazanie, że podejmowanie badań nad przyczynami i okolicznościami wypadków morskich realnie wpływa na zwiększenie bezpieczeństwa morskiego. Państwowa Komisja Badania Wypadków Morskich, w przeciwieństwie do organów sądowych, nie dąży do ujawnienia odpowiedzialnych za wypadek lub incydent morski. Głównym zadaniem Komisji jest zapobieganie wypadkom i incydentom morskim w przyszłości. Autor w niniejszym artykule omówi również rolę zaleceń prewencyjnych wydawanych przez PKBWM oraz konieczność kształtowania kultury bezpieczeństwa.
Obraz Wenecji w relacji podróżniczej Bernarda Potockiego w roku 1821
Authors: Polak Szymon Mikołaj
Published: December 2023

Bernard Potocki był polskim szlachcicem, który dwukrotnie odbył podróż po Włoszech. Ze swojej drugiej wyprawy odbytej w latach 1821–1822 przywiózł wspomnienia, które postanowił spisać i opublikować. Jednym z miast, które odwiedził, była Wenecja. Potocki w swojej relacji opisuje trasę po tym mieście, wskazuje, jakie budynki go urzekły, opowiada ich historię oraz dokonuje refleksji historiozoficznej na temat losu państw. W artykule opisano relację z Wenecji Bernarda Potockiego poprzedzoną krótkim rysem historycznym Serenissimy w ostatnich, burzliwych latach jej istnienia.
Gwarancje procesowych praw jednostki w postępowaniu represyjnym w świetle projektu nowelizacji ustawy z 24 sierpnia 2001 r. Kodeks postępowania w sprawach o wykroczenia
Authors: Majda Nadia
Published: December 2023

Przedstawione propozycje zmian w projekcie ustawy o zmianie ustawy – Kodeks postępowania w sprawach o wykroczenia zdają się stawiać pod znakiem zapytania standardy konstytucyjne i międzynarodowe, jakie powinny być zapewnione w postępowaniu represyjnym, w którym rozstrzygana jest kwestia odpowiedzialności karnej jednostki. Założenia, jakie mają przemawiać za wprowadzeniem tych zmian, w postaci usprawnienia postępowania w sprawach o wykroczenia i odciążenia sądów (dodać wypada, że po przeanalizowaniu postanowień projektu nie do końca skuteczne), wydają się nieadekwatne w stosunku do obciążeń, z jakimi wiąże się postępowanie represyjne w proponowanym kształcie. Projekt zakłada pozbawienie jednostki pociągniętej do odpowiedzialności za wykroczenie jej podstawowych gwarancji procesowych, tj. prawa do sądu, domniemania niewinności, prawa do obrony, proponuje się wreszcie wprowadzenie zakazu pogarszania sytuacji procesowej. Ponadto powstaje pytanie, czy projekt ma rzeczywiście realizować cele, na które powołuje się projektodawca w jego treści?