bluuebunny/crossref_metadata_2025 huggingface dataset:
Detection of Tetrachlorobutadiene Isomers Using Density Functional Theory Methods, A Comparative Study of Hartree-Fock and Density Functional Theory Analysis
Authors: Fatema Kaniz
Published: January 2025

The study aims to build upon previous research by incorporating Density Functional Theory (DFT), specifically using the B3LYP functional, to improve the computational methodology for analyzing chlorobutadiene (TCBD) compounds. DFT is chosen for its ability to account for electron correlation effects beyond the mean-field approximation, a limitation found in earlier approaches such as the Hartree-Fock (HF) method. By incorporating electron correlation, DFT provides a more accurate description of molecular properties, making it highly suitable for analyzing complex molecular structures like those found in chlorobutadienes. The methodology adopted in the study comprises four key steps. First, the molecular structure of each isomer was created. Next, the geometry of the isomers was optimized using DFT methods to ensure the most stable configurations for further analysis. The third step involved computing the vibrational frequencies of the molecules using the B3LYP functional, with different basis sets applied depending on the isomer under study. Finally, the simulated infrared (IR) spectra generated through DFT were compared with existing data from the literature to validate the findings and assess the accuracy of the computational model. The study focuses on nine different Tetrachlorobutadiene (TCBD) isomers, each with unique configurations of hydrogen and chlorine atoms. These structures were visualized using Molden software, and the IR spectra for each isomer were obtained using DFT, specifically the B3LYP and B3LYP-D3BJ functionals. The analysis of the IR spectra revealed characteristic peaks corresponding to various functional groups within the TCBD molecules. Notable vibrational modes included C-Cl stretching, C=C stretching and bending, and C-H stretching and bending, which are essential in identifying the chemical composition of the isomers. A comparative analysis was conducted between DFT and the previously employed Hartree-Fock (HF) method. The results clearly showed that DFT was more efficient in identifying functional groups within the TCBD isomers. DFT provided IR spectra with well-defined peaks that were consistent across all isomers, offering a more detailed and accurate molecular analysis. In contrast, the HF method, while capable of detecting some functional groups, was less consistent and notably missed certain peaks, particularly in the C-H stretching region. This demonstrates the flexibility and superior accuracy of DFT, making it a more reliable tool for molecular structure analysis, especially in cases involving complex electron correlation effects. Despite DFT’s effectiveness, the overlapping of peaks in the IR spectra necessitates additional analytical techniques, such as nuclear magnetic resonance (NMR) or Raman spectroscopy, to enhance the differentiation of isomers.
Theoretical Analysis of Bivalent Binding Avidity and Kinetics: Implications for DNA-Encoded Libraries
Authors: Watts Richard, R. Edward, Eray , Belotserkovskii Boris
Published: January 2025

This study presents a theoretical framework for understanding the binding behavior of bivalent molecules—entities with two linked ligands—to immobilized targets. Bivalent molecules demonstrate increased binding compared to monovalent counterparts due to an avidity effect arising from the enhanced local concentration of the second ligand upon the first ligand's attachment. Our findings indicate that a shorter tether between ligands increases equilibrium bivalent binding, provided the short tether can span adjacent binding sites without strain. However, shorter tethers may also prolong the search for closely spaced targets, delaying equilibrium to an impractical degree. We propose a theoretical model to evaluate the equilibrium and kinetic parameters of bivalent binding, to enable optimal design of bivalent DNA-Encoded Libraries, and to effect highly efficient DNA-Encoded library (DEL) selection processes.
On the Performance of the Bethe-Salpeter Equation for Electronic Excitations in First-Row Transition Metal Complexes
Authors: Bogdain Florian , Kuehn Oliver
Published: January 2025

The performance of the BSE@GW approach has been systematically tested on a series of first-row transition metal complexes. Special attention was paid to the in- terplay between metal-centered (MC) and charge transfer (CT) transitions and their ordering in the excited singlet and triplet state manifolds. Here, the commonly used time-dependent density functional theory reaches its limits and in particular shows a strong dependence on the exchange-correlation functional. In contrast, the present BSE@GW UV-VIS spectra show a good agreement with experimental results as far as the absorption spectra and their assignment are concerned. This is achieved in- dependently of the exchange-correlation functional underlying the initial guess of the GW iteration. These conclusions are drawn on the basis of an investigation of a test set including nearly pure MC transitions in triazacyclononane with diﬀerent metal centers and mixed MC-CT transitions in Fe(II) complexes with diﬀerent numbers of N-heterocyclic carbene ligands. Furthermore, important aspects of the calculations such as the dependence on the ground state equilibrium geometry or the influence of the Tamm-Dancoﬀ approximation are highlighted.
On the Role and Reality of Digital Reference Materials
Authors: Nichani Kapil , Fleissner Frederik , Colson Bertrand , Leonard Coralie , Uhlig Steffen
Published: January 2025

The emergence of Laboratory 4.0 and digital twin technologies necessitates reconsideration of how reference materials (RMs) can support modern analytical workflows. Digital reference materials (dRMs), existing as validated digital twins of physical standards, represent the convergence of traditional metrology and modern information technology, enabling new quality assurance and quality control workflows. To translate the inherent promise of dRMs into analytical reality, this work aims to set a framework for their implementation and validation. In doing so, this paper attempts to clear the air regarding the understanding and harmonization of terms and concepts for practitioners across academia, industry, and regulatory bodies and provides practical examples of dRMs in analytical workflows. This work examines important considerations from a quality assurance perspective, mapping the requirements of ISO 17034 for the production of reference materials. Furthermore, it also proposes performance characteristics for evaluating dRMs, i.e., establishing confidence that digital “signatures” and their associated uncertainties are fit for contemporary analytical challenges. The discussion encompasses both technical and quality assurance aspects, addressing the needs of analytical chemists facing the challenges of digital transformation in their daily work. The integration of physical standards with their digital twins opens a pandora’s box of applications including high-throughput screening, non-targeted methods, digital proficiency testing and real-time process control in modern analytical laboratories. This transformation addresses contemporary challenges in analytical chemistry while preserving the fundamental role of RMs in ensuring measurement reliability and traceability.
Methane enrichment from dilute sources: Performance limits and implications for methane removal and abatement
Authors: Subraveti Sai Gokul , Anantharaman Rahul
Published: January 2025

Methane (CH4), the second most potent greenhouse gas after carbon dioxide (CO2), profoundly impacts global warming, and its mitigation is crucial to meeting climate neutrality. However, most CH4 emissions originate from "non-point" distributed sources with dilute CH4 concentrations. This study investigates the feasibility of preconcentrating CH4 from these dilute sources using a three-step vacuum temperature swing adsorption (VTSA) cycle before converting CH4 to CO2 for permanent storage. The cycle performance limits are identified through integrated adsorbent-process optimizations at CH4 feed compositions of 2 ppm, 20 ppm, and 200 ppm. The optimizations focus on minimizing exergy consumption and maximizing productivity by varying adsorbent and process variables. The results demonstrated that CH4 enrichment to at least 1% is feasible using this cycle, especially from 20 ppm air feeds, when CO2 co-removal is also considered. More advanced VTSA cycles may be needed to effectively enrich CH4 from 2 ppm. The minimum exergy of the VTSA cycle ranges from 5.1 to 1.5 MJ/kg eq. CO2 for CH4 feed compositions of 2 ppm to 200 ppm, while maximum productivity varies from 0.5 to 8.3 kg eq. CO2/m3 h. Ideal adsorbent properties for CH4 exhibit moderate loadings of 0.1-0.3 mmol/g and high heats of adsorption of 31-32 kJ/mol, indicating a potential direction for future adsorbent development.
Electrical control of photon spin angular momentum in organic electroluminescent materials
Authors: Furlan Francesco , Šámal Michal , Rybáček Jiří , Taddeucci Andrea , di Girolamo Marta , Nodari Davide , Siligardi Giuliano , Wade Jessica , Yan Binghai , Stará Irena , Gasparini Nicola , Fuchter Matthew
Published: January 2025

The photon spin information encoded in circularly polarised (CP) light is of high interest for current and future technologies, including low power displays, encrypted communications and high performance quantum applications. Engineering organic light-emitting diodes (LED) to emit opposite handed electroluminescent CP light typically requires access to left- and right-handed chiral molecules. In conjugated polymer LEDs, the handedness of CP electroluminescence (EL) also depends on the active layer thickness or direction of current flow. For a given active layer thickness, it has remained unknown whether a single-handed chiral material can emit opposite handedness CP light in the same LED architecture – until now. Here we demonstrate organic LEDs where the handedness of the emitted CP EL can be controlled electrically, solely through the use of interlayers with no change in the emissive material composition or thickness. We reveal that this occurs due to a change in mechanism for the generation of CP EL, as a function of the recombination zone position within the device. This result provides a paradigm shift in the realisation of organic CP-LEDs with controllable spin angular momentum information and further contributes to ongoing discussions relating the fundamental physics of chiral optoelectronics.
Tandem Cu/ZnO/ZrO2-SAPO-34 System for Dimethyl Ether (DME) Synthesis from CO2 and H2: Catalyst Optimization, Techno-Economic and Carbon-Footprint Analyses
Authors: Mangalindan Jasan , Mahnaz Fatima , Vito Jenna , Suphavilai Navaporn , Shetty Manish
Published: January 2025

To alleviate detrimental effects associated with anthropogenic emissions, the use of CO2 and H2 as feedstocks for their conversion to associated with dimethyl ether (DME) with tandem catalysts is an attractive and sustainable route. First, we investigated, for the first time, the catalytic activity of bifunctional admixtures of Cu-ZnO-ZrO2 (CZZ) and a silicoaluminophosphate, SAPO-34, for CO2 hydrogenation to DME, and optimized their reactivity with an emphasis on identifying optimum synthesis conditions for CZZ including Cu:Zn:Zr molar ratio, and ageing and calcination temperatures. The highest methanol (MeOH) productivity (10.8 mol kgcat-1 h-1) was observed for CZZ-611 aged at 40°C and calcined at 500°C. When coupled with SAPO-34, CZZ/SAPO-34 reached 20% CO2 conversion and 56% DME selectivity at optimized conditions (260°C, 500 psig, and 2000 mL gCZZ-1 h-1) and was stable for 50 h time-on-stream. Next, we performed kinetic modeling to translate lab-scale findings to industrial packed-bed reactors followed by a techno-economic analysis (TEA) with cradle-to-gate environmental footprint evaluation to evaluate its industrial applicability. TEA of a 20,000 tpy DME plant revealed raw material costs as the main operating costs drivers (H2 cost comprises 47% of total cost). Considering green H2 ($4/kg H2) and captured CO2 as feed, the minimum DME selling price (MDSP) was $3.21/kg, ~3.6x higher than market price ($0.88/kg). MDSP drops to $1.99/kg with grey H2 ($1/kg H2) and fluctuates ±$0.14 with changes in CAPEX (±30%) and other economic factors. The plant’s carbon footprint was mainly affected by H2 source. Green and grey H2 resulted in emissions of 0.21 and 4.4 kg CO2 eq/kg DME, respectively. Importantly, negative carbon-footprint can be achieved by using green H2 and CO2 captured directly from air. Overall, our work showed tandem catalysis as a promising approach towards sustainable DME production and identifies the pathway towards making it cost-competitive with fossil-fuels.
Molecular orientation in amorphous calcium phosphate-pyrophosphate
Authors: Feng Chaobo , Zeng Hua , Yao Longxiang , Chen Feng , Lu Bing-Qiang
Published: January 2025

Solids in nature typically exist in amorphous or crystalline states depending on the order of their constituent atoms. Generally, the multi-atom molecules (including ions) are highly ordered and oriented in crystals, but their orientation in amorphous solids is disordered except in certain organic materials formed by external regulations. This study finds that the amorphous calcium phosphate-pyrophosphate nanowire (ACPPN), which is prepared without external regulations, displays a molecular orientation of pyrophosphate ions. This discovery broadens our knowledge of the unique structural characteristics of amorphous materials, which would pave a way for further development of advanced solid materials.
Urban sprawl and transformations in the urban fabric: contemporary challenges for Brazilian cities
Authors: Tavares Jeferson
Published: January 2025

This article argues that the contemporary transformations of the urban fabric in Brazilian cities are characterized by urban sprawl, a process distinguished from earlier ones due to its association with new cultural values and new challenges for urban planning. Accordingly, the aim is to research the extent to which urban sprawl impacts the planning of Brazilian cities, with a focus on understanding the relationshipbetween urban sprawl and climate change. Initially, the article questions key foreign concepts related to urban sprawl, demonstrating the contemporaneity of this process. Through an exploratory methodology, it characterizes urban sprawl through Brazilian interpretations and territorial evidence. The discussion centerson five conditioning factors stemming from sprawl and their relationship to climate events. In conclusion, the article advocates for multifunctional and multiscale premises that address local development by recognizing the systemic nature of this process.
Study of the thermolysis process of copper (II) sulfate pentahydrate by thermovolumometric method
Authors: Mordasov D. M.
Published: January 2025

When studying mixtures of minerals, composites of complex composition, and selecting powder catalysts, problems often arise for which the small masses of samples used in thermogravimetry do not provide sample representativeness. This requires the use of other methods of analysis that allow the use of samples ten times larger in mass. The paper presents the results of a study of the thermolysis process of copper (II) sulfate pentahydrate using a thermovolumometric method. During the tests, a sealed container with the analyzed substance and a thermoelectric converter was placed in a tubular furnace. The gas released during thermolysis entered the bubbling tank through the capillary. SoundForge13 and TableCurve 2D programs were used to process experimental data. The sources of error in the thermovolumometric analysis technique are analyzed. Dependencies that can be used to improve its accuracy are given. It was revealed that the value of the repeatability index obtained as a result of assessing the repeatability of the method is 3 °C; in the range of densities of the evolved gases 1. 25 – 1. 43 kg/m3, the resolution of the method in terms of the mass of the substance is 12 – 13 μg. The results obtained can be used to determine the temperatures of phase transitions when studying processes occurring during heating of mineral compositions, as well as the temperatures of decomposition reactions of substances. The accuracy of measurements can be increased by careful sample preparation, reducing the heating rate of the sample and introducing corrections to the measurement result based on the obtained dependencies.
Research of tribological properties of surface MAO composites on D16T alloy
Authors: Somov O. V. , Vasin V. A.
Published: January 2025

Operation of mechanical engineering products operating under conditions of intensive wear at high rotation speeds and loads leads to their inevitable wear and significant metal losses. One of the methods for obtaining wear-resistant surfaces on products, for example, friction pair parts, is the microarc oxidation (MAO) method of aluminum alloys. The method allows obtaining dense hard surface wear-resistant composites based on α-Al2O3 (corundum) and γ-Al2O3. The structure, composition and surface quality of the resulting MAO coating significantly affect the performance characteristics of the product surface. The aim of the work is to determine the effect of porosity (10 and 16%) and surface roughness (Ra, equal to 2.7 and 0.51 μm) of MAO composites on D16T alloy on tribological properties and to evaluate the possibility of using MAO coatings in friction pairs, including end seals, under dry friction conditions. Comparative tests were carried out on an SMT-1 machine under dry friction conditions at a specific pressure in the friction pair of P = 0.5 MPa; the duration of the experiment was 90 – 91 min for each friction pair. The studies have shown that in many friction pairs, various types of damage (destruction) of the coating integrity, as well as deep abrasive wear, occurred. The porosity of the MAO coating in the range of 10 – 16% at different roughness values does not affect the abrasive wear of the coating. However, a porosity of 10% and a surface roughness of no more than Ra ≤ 0.51 ± 0.12 μm are preferable for achieving better tribological characteristics of surface MAO composites on D16T aluminum alloy.
Enhancing the Interaction between Deaf/Hard of Hearing and Hearing People through the Use of Modern Technologies
Authors: Ilyicheva T. E. , Fayzullina E. F.
Published: January 2025

The rapid advance of computer technologies has unlocked numerous benefits and opportunities that make life easier. This article examines the use of speech recognition applications facilitating the communication between deaf and hearing people. The analysis is based on the interviews with Russian sign language users who rely on various applications, such as Dragon NaturallySpeaking, VoiceNavigator, Roger Speech to Text, and Ava Translator, during the communication process. Although the majority of respondents had low literacy levels due to the challenges often faced by deaf children while studying, they have successfully mastered high-tech gadgets, allowing them to engage more fully in the interaction with oral language speakers. The demand for speech recognition applications stems from the lack of Russian sign language interpreters and the wide range of problematic situations that deaf people encounter in their daily lives. However, the study highlights that many of the existing assistive applications are still not deaf-friendly, thus making deaf people continue to depend on support from sign language interpreters. The results obtained underscore the need to address the limitations of these applications by incorporating feedback from deaf users.
Pragmasemantics of Metatextuality in Autobiographical Discourse
Authors: Goryacheva E. D.
Published: January 2025

This article explores the pragmasemantic features of metatextuality in the discourse of autobiographical narrative. Autobiographical discourse is inherently subjective and expressed through various modalities. Subjectivity is an ontological property of thinking, inevitably manifested in language. Here, metatextuality was defined as a unity of explicit metatextual elements and metapoetic meanings, given that the writer, producing autobiographical discourse, impregnates it with their personal perception of the creative process and aesthetic principles. The methods used include inductive-deductive reasoning, comparison and contrast, semantic analysis, and philological interpretation. Based on the analysis of Yury Olesha’s autobiographical book “Not a Day without a Line”, the main verbalizers of metatextuality (introductory words and phrases; inserted constructions; gradational comparisons and expanded metaphors; lexemes zhizn’ (life), pisat’ (write), and isskustvo (art), as well as their word-forming derivatives; precedent onyms; stylization of metapoetic fragments as monologues) were identified. The results obtained show that the pragmasemantic potential of metatextuality is determined by its alignment with the metapoetics of the writer’s autobiographical discourse as a form of personal, existential discourse.
Idiolect of Epistolary Novel’s Character through Evaluative Vocabulary: Translation Perspective
Authors: Bonadyk N. A.
Published: January 2025

This article outlines the challenges of translating the evaluative vocabulary from the letters of Makar Devushkin, one of the main characters of M.F. Dostoevsky’s epistolary novel “Poor Folk”, into Japanese. Evaluative connotations are rarely spanned by dictionaries and can be acquired even by neutral words in specific contexts, thus being difficult to render accurately, as confirmed here by a detailed linguistic analysis of the idiolect of Makar Devushkin in comparison to that of Varvara Dobroselova, another main character of the novel. The writing style of Makar Devushkin was found to be marked by poetic and vernacular expressions, creative language use, clerk slang, stylistic inconsistencies, as well as numerous speech errors, clarifications, and interjections. The key strategies for translating Makar Devushkin’s idiolect into Japanese without losing his evaluative voice were identified: finding a contextual equivalent, omission, and literal translation. The factors determining the choice of the translation strategies were revealed. The findings show that contextual translation is the best option to convey the meaning of Makar Devushkin’s words used in non-standard contexts, altering their meanings in ways that must be guessed from the context. Omission is applied when pleonasms appear in Makar Devushkin’s speech. Literal translation is appropriate when the original expressions are likely to be understood intuitively, at least to some extent, by readers.
Interpretation of Law in the Political and Legal Thought of Western Europe during the 12th–13th Centuries
Authors: Gladkov A. K.
Published: January 2025

This article explores the views of two outstanding medieval thinkers, John of Salisbury and Thomas Aquinas, on law (its types, functions, and purpose). Their intellectual reflections were based on the theoretical political knowledge and historical context of the time and played a key role in the development of “scientia politica” during the 12th–13th centuries. Both thinkers distinguished between Divine, natural, and human (civil) laws, emphasizing their interconnectedness and interdependence within society. The obtained results show that they had a Christian worldview, where the king, guided by the three laws and the principles of justice, was destined to lead his subjects toward the “common good”, ensuring their freedom and happiness.
Navigating Sector Momentum: Evaluating Performance in the US and Global ETFs for Retail Investors
Authors: Pavlović Danica , Korenak Boris , Balaban Mladenka
Published: January 2025

Modern day investing comes with too many options and complexities for non-professional investors. An easy way for them to earn acceptable returns is investing in market index exchange-traded funds (ETFs). However, the previous research suggests that they can achieve superior results by using a simple sector momentum strategy. The aim of this study is to examine whether those conclusions remain when a different data set is used as well as to assess the performance attribution of such a strategy. The research is based on two sets of sector ETFs, which are focused on the US market and on the global market, in order to investigate whether the results are applicable in both cases. For each of them the performance measures were calculated, and the factor analysis was performed. The results suggest that the sector momentum strategies achieve superior results than the benchmark, though there is not one universally optimal strategy for every investor and for every investment opportunity set. The factor analysis confirms that the strategy generates alpha and that its performance cannot be explained by traditional factors fully. Therefore, the study further supports the use of sector momentum investing, especially for retail investors, though it has its limitations, e.g. the neglect of transaction costs.
The MCDM-based Assessment of Solutions for Transition to Sustainable Industry 4.0: The Case of Serbia
Authors: Popović Gabrijela , Fedajev Aleksandra , Stanujkić Dragiša
Published: January 2025

Industry 4.0 implies the transformation of organizations into digital entities (Sony & Naik, 2020). It represents a new level of industrial development that has changed demands, competition, industry structure, and sustainability awareness (Dalenogare et al., 2018). The primary objective of this paper is to use Multiple-Criteria Decision Making (MCDM) to identify the principal obstacles and solutions for successfully adopting the technologies that will facilitate a transition of the Serbian industry to sustainable Industry 4.0. The barriers' significance was defined using the Preference Selection Index – PSI (Maniya & Bhatt, 2010). The assessment of the solutions was performed by three decision-makers using the following MCDM methods: PSI, Compromise Ranking of Alternatives from Distance to Ideal Solution – CRADIS (Puška et al., 2022), and Integrated Simple Weighted Sum-Product Method—WISP (Stanujkic et al., 2021). The results revealed that logistics, reverse logistics management, and technology integration are the most significant barriers. The significance of logistics and warehousing management lies in their role as crucial facilitators for the sustainable development of industries, ensuring efficient and responsible movement, storage, and distribution of goods. Also, the application and development of new technologies can improve efficiency and reduce the environmental impact of the Serbian industry. Based on the MCDM methods, the framework enabled the assessment of the barriers and solutions for technology adoption in light of the current business conditions in the Republic of Serbia. The managers and policymakers could easily perceive the main obstacles and optimal actions to fulfill the requirements of Industry 4.0 and promote sustainable operation.
European Sustainability Reporting Standards: Lack of Progress, Alignment, and Harmonization in Western Balkans
Authors: Ljutić Ivana , Veledar Benina , Gadžo Amra , Knežević Mila
Published: January 2025

This paper aims to investigate the status of alignment and harmonization of corporate reporting in Western Balkans (WB) countries with the European Sustainability Reporting Standards (ESRS). Specifically, the research will focus on understanding the extent to which WB countries have initiated the adoption of ESRS, particularly in the context of the Corporate Sustainability Reporting Directive (CSRD) that mandates its use for companies within the European Union (EU) and its branches. The paper will compare the achieved level of sustainability reporting in Western Balkan countries with other countries located in Europe that are not members of the European Union. Despite the mandatory nature of ESRS for companies within the EU, our preliminary analysis indicates a lack of progress in the alignment and harmonization process among the WB countries. Western Balkan countries are also lagging behind, compared to other non-EU member countries, such as Switzerland and Norway, which have been selected for comparative analysis. The research seeks to uncover the reasons behind this lag and to explore the potential challenges faced by companies in the WB region in implementing these standards. It is crucial to understand the current state of sustainability reporting practices in WB countries and the challenges faced in aligning with ESRS. It will provide valuable insights for policymakers, businesses, and stakeholders on the necessary steps to enhance sustainability reporting practices in the region and foster alignment with international standards.
TRANSLATION AND TRANSFORMATION: THE EVOLUTION OF SINDHI LITERATURE AND CULTURE IN THE PRE-INDEPENDENCE ERA (1850-1947)
Authors: Sharma Jayesh Durgadas , Sethi Harish Kumar
Published: January 2025

The period from the mid-19th century to 1947 witnessed a remarkable transformation in Sindhi literature, primarily driven by the translation of texts from Persian, English, Hindi and other Indian Languages. These translations introduced Sindhi readers to diverse literary forms and genres while preserving indigenous cultural narratives in the face of rapid socio-political changes. Prominent translators such as Mirza Qaleech Baig, Mangharam Udharam Malkani, Diwan Dayaram Gidumal and Allama I. I. Kazi played a pivotal role in this literary evolution. Their efforts not only enriched Sindhi literature but also stimulated intellectual and cultural discourse by making global literary ideas accessible to local audiences. This study delves into the profound impact of translated works on the literary and cultural landscape of Sindh, highlighting how these efforts facilitated the adaptation of foreign literary traditions while maintaining the region's unique heritage. Moreover, the influence of translations on socio-political thought during this period is explored in detail. By analyzing the contributions of key translators and examining factual data, this paper underscores the vital role of translation as both a catalyst for literary development and a medium for cultural exchange in pre-independence Sindh.
COVID - 19 AND ITS IMPACT ON MSMES IN INDIA
Authors: Shashikala
Published: January 2025

Micro, Small and Medium Enterprises (MSME) forms the backbone of the Indian economy and is one of the most crucial segments that let the economy grow by leap and bounds. The micro, small and medium enterprises as a whole form a major chunk of manufacturing in India and play an important role in providing large scale employment and also in the country’s exports. Recent annual reports on MSMEs indicate that the sector contributes around 30% of India’s GDP and based on conservative estimates, employs around 50% of industrial workers. Over 97% of MSMEs can be classified as micro firms (with an investment in plant and machinery less than Rs. 25 lakhs) and 94% are unregistered with the government. Many of the micro enterprises are small, household run businesses. Now the world is battling with modern horrors like the Covid-19, which has left the entire world befuddled and in the lurch as to hop one virus has brought the entire world to a standstill. The Covid-19 pandemic has left its impact on all sectors of the economy, but now here is the hurt as much as the MSMEs of India. MSMEs have been the worst casualty of Covid-19 induced lockdown.
CORPORATE GOVERNANCE AND SUSTAINABILITY PRACTICES OF ENERGY COMPANIES IN INDIA
Authors: Chhabra Ankur , Sharma Sanjay Kumar , Chhabra Monica
Published: January 2025

In order to better understand how energy firms in India approach problems of corporate responsibility, sustainability, and regulatory compliance, the goal of this research is to analyze the various approaches that these companies use. It focuses on the processes that they use in a variety of different areas of practice. As a result of the fact that India has one of the energy markets that is increasing at the fastest rate around the globe, energy firms have a significant impact on the path that India is on towards achieving sustainable development. Within the scope of this study, the key objectives are to explore the reporting procedures, governance structures, and sustainability activities of major energy businesses in India.
SOCIO-ECONOMIC CONDITIONS OF LABORERS ENGAGED IN SAND MINING IN THE RIVER CHALIYAR OF KERALA DURING THE POST-BAN PERIOD OF SAND MINING
Authors: O.C Dr. Abdul Kareem.
Published: January 2025

This study investigates a comparative analysis of the socio-economic conditions of laborers engaged in sand mining in the River Chaliyar of Kerla, focusing on the impacts of the recent ban on sand mining activities. Using a sample size of 100 laborers on whom the study was earlier conducted for the investigator’s PhD work. The research examines changes in their income, employment status, living conditions, and alternative livelihood opportunities following the ban. The findings reveal significant challenges faced by laborers and highlight the need for sustainable alternatives.
A Inclusão das pessoas com deficiência visual nas bibliotecas Públicas
Authors: Klauch Jorge José
Published: January 2025

O tema central do livro destaca a importância da acessibilidade universal e da diversidade nas instituições culturais, incentivando a reflexão
sobre como tornar os espaços públicos mais inclusivos para todos.
Lipocalin associated with neutrophil gelatinase, matrix metalloproteinases 2 and 9 in the pathogenesis of acute kidney injury in thermal skin burns
Authors: Konovalova A. A.
Published: January 2025

Background. Acute kidney injury is one of the most serious complications of thermal skin burns; in most cases it remains undiagnosed in the first day after injury. Therefore, it is necessary to search for new biomarkers that can indicate the onset of renal damage. Lidocaine and matrix metalloproteinases are of the greatest interest. Currently, there is insufficient information about the participation of these proteins in the development of acute kidney injury in the pathogenesis of burn disease.

The  aim. To  evaluate the  dynamics of  changes in  the  levels of  lipocalin, matrix metalloproteinases 2 and 9 in blood serum in patients with thermal skin burns.

Materials and methods. The study included 74 patients with thermal skin burns of  I–III  degree with  a  skin lesion area of  more than 25  %, of  which at  least 15  % are  deep burns. Serum creatinine levels were determined using the  kinetic Jaffe method. The concentration of lidocaine and matrix metalloproteinases was studied by multiplex analysis on a flow cytofluorimeter.

Results. It was  found that the  level of  lipocalin in  the  blood serum of  patients with thermal skin burns increased 5.5 times in relation to the control group during the shock period. During the period of burn toxemia and septicotoxemia, this indicator remained at a high level and exceeded the control values. The concentration of  matrix metalloproteinase  2 in  blood serum during burn shock was  4.3  times higher, with burn toxemia – 3.5 times and during septicotoxemia – 2.9 times in relation to the control group. Similar dynamics was observed in the study of the level of matrix metalloproteinase 9.

Conclusion. Lipocalin and matrix metalloproteinases 2 and 9 can be considered as early biomarkers of acute kidney injury in patients with thermal burns.
Modern ideas of the role of the immune process and hemostasis in the pathogenesis of sepsis
Authors: Osikov M. V. , Telesheva L. F. , Konashov A. G. , Gusev A. V. , Konashov V. A.
Published: January 2025

The pathogenesis of sepsis as a pathological process, which is based on the body’s reaction in the form of generalized (systemic) inflammation to an infection of various nature, leading to acute multi-organ dysfunction, includes changes in the immune response, imbalance of  pro-inflammatory and  anti-inflammatory mechanisms, hemostasis disorders, hemodynamic disorders, microcirculation, activation of the hypothalamic-pituitary-adrenal system, and disorders of delivery, consumption, and utilization of oxygen. The predominance of the pro-inflammatory component over the anti-inflammatory one and damage to the primary barrier structures in the area of inflammation predetermines the breakthrough of inflammatory mediators into the  systemic circulation. The  dominance of  the  destructive effects of  cytokines leads to a disorder of microcirculatory hemodynamics outside the primary focus, to the launch of disseminated vascular coagulation syndrome and organ failure. Sepsis is characterized by a hypercoagulable-hypofibrinolytic phenotype of changes in hemostasis, immunothrombosis as a result of endothelial dysfunction, platelet activation, autocoid-induced coagulation, activation of the external and internal coagulation pathways, and a decrease in the activity of the anticoagulation and fibrinolytic systems. Tumor necrosis factor α, interleukin (IL) 1β, IL-2, interferon γ, IL-10, HLA-DR (human leukocyte antigen – DR isotype), C3, C4, C5, C1 complement inhibitors, C3a, C5a, IgA, IgM, IgG, CD3+CD4+, CD3+CD8+, CD3+CD56+, CD3+CD19+ can be considered as biomarkers of changes in the immune response in sepsis. In order to detect hemostasis disorders in sepsis, promising biomarkers may be: total platelet count, von Willebrand factor, factor VIII, protein C, thrombomodulin, tissue factor pathway inhibitor, tissue-type plasminogen activator, plasminogen activator inhibitor 1, thrombin activatable fibrinolysis inhibitor. Further study of the immunological and coagulation links of the pathogenesis of sepsis will make it possible to determine the key diagnostic and prognostic biomarkers of sepsis. We  analyzed 125 literature sources on  the eLibrary, Medline, PubMed, RSCI sites, of which 64 sources met our criteria for use in a systematic review.
Lipid peroxidation products and superoxide dismutase activity in women depending on the phosphatidylethanol level in the first trimester of pregnancy
Authors: Novikova E. A. , Semenova N. V. , Karacheva A. N. , Nikitina O. A. , Marianian A. Yu. , Bairova T. A. , Belskikh A. V. , Belyaeva E. V. , Sambyalova A. Yu. , Ershova O. A. , Kolesnikova L. I.
Published: January 2025

Background. Even small amounts of alcohol have an extremely negative effect on the fetus, especially in the early stages of gestation. It is known that ethanol promotes the formation of free radicals, but there is no data on the nature of the oxidative stress development in pregnant women depending on its blood level.

The aim. To assess the level lipid peroxidation products and superoxide dismutase activity in the first trimester of pregnancy for women, who consumed alcoholic bevera ges, depending on the phosphatidylethanol (PEth) level in the blood.

Materials and methods. The study included 165 women in the first trimester of pregnancy aged 18 to 40 years. To identify the fact and amount of alcohol consumption, the direct biomarker of alcohol 16:0/18:1PEth in blood plasma was performed using high-performance liquid chromatography with tandem mass spectrometry. Depending on the concentration of PEth, groups of women consuming different doses of alcohol were identified: group 1 – PEth concentration < 8 ng/ml (non-drinkers; n = 63); group 2 – PEth concentration from 8 to 45 ng/ml (drinkers of less than 1 dose; n = 66); group 3 – PEth concentration ≥ 45 ng/ml (drinkers of more than 1 dose; n = 36). The content of lipid peroxidation products and superoxide dismutase activity was determined by spectrophotometric methods.

Results. It was found that lipid peroxidation intermediates level in the groups of women who consume alcohol, regardless of PEth 16:0/18:1 level in blood plasma, was significantly higher compared with the control (p < 0.05). The superoxide dismutase activity was higher in the group of pregnant women who consumed less than 1 dose of alcohol compared with the control (p < 0.05) and the group who consumed one or more doses of alcohol (p < 0.05).

Conclusion. The obtained results indicate the activation of lipid peroxidation processes in the first trimester of pregnancy regardless of the dose of alcohol-containing products consumed.
Legg – Calve – Perthes disease: Modification of the experimental design and its morphological criteria
Authors: Sertakova A. V. , Ulyanov V. Yu. , Sadchikov D. D.
Published: January 2025

Legg – Calve – Perthes disease (LCPD) is the most common femoral head osteonecrosis in children. Until now, the knowledge of etiology, pathogenesis and clinical signs is partial and does not provide a coherent view of the disease. Despite modern advances in understanding and diagnosing of the disease, surgical interventions and stress release remain the standard treatment methods. Now there is a need to develop both new strategies for studying the pathogenesis of the disease and choosing methods of its treatment.

The aim. Reproduction and development of morphological criteria for the early stage of Legg – Calve – Perthes disease (stages 1–2 by the modified Waldenström classification system).

Materials and methods. The research involved 6 young gray giant rabbits (Flandres) aged 3–4 months. The early stages of LCPD were simulated by the pathophysiological model of Kuzhelivsky I.I. et al. (2016) with paraarticular adrenaline injections along with physical activity. We  modified the  physical activity regime for the  subjects by daily free range for 1.5–3 hours.

Results. The  experiment confirmed the  validity of  the  modified simulation and designed its morphological criteria. The osteochondropathy process was verified histologically, we also revealed the  classic signs of  damage to  subchondral bone and hyaline cartilage as well as abnormal vascularization of cartilage sites and pathological neoangiogenesis.

Conclusion. The  technique of  non-traumatic osteonecrosis simulation in  young rabbits featured initial results in reproducing the pathological links of osteonecrosis process. The cartilage tissue featured the loss of isogeneity in chondrocytes structure and their column-like arrangement; its delamination and replacement with fibrous tissue, including fibroblast-like cells and collagen fibers; cartilage neovascularization and persistent mixed hyperemia. In the bone marrow, only the activation of the red blood cell line was noted. The  bone tissue featured the  abnormality of  osteon structure with a mosaic arrangement of trabeculae as well as lacunar resorption, and osteoblast degeneration.
Predicting the risk of developing drug-induced liver injury during remdesivir therapy in COVID-19 patients using machine learning
Authors: Shevchuk Yu. V. , Shamigulov I. I. , Sychev I. V. , Kryukov A. V. , Temirbulatov I. I. , Mirzaev K. B. , Denisenko N. P. , Abdullaev Sh. P. , Tuchkova S. N. , Vechorko V. I. , Averkov O. V. , Sychev D. A.
Published: January 2025

Background. The antiviral drug Remdesivir has been widely used for etiotropic treatment of COVID-19. The incidence of adverse reactions during Remdesivir therapy reaches 66.2 %, the most common one being an increase in hepatic transaminases.

The aim. To develop a machine learning model for predicting the risk of drug-induced liver damage in patients with COVID-19 when prescribing Remdesivir therapy.

Materials and methods. This prospective open-label observational study was conducted between November 2021 and February 2022, including 154 patients receiving Remdesivir therapy. Patients were divided into two groups: group 1 (n = 45), in  which patients developed signs of liver damage during Remdesivir therapy; group 2 (n = 109) – patients without this adverse reaction. All patients underwent pharmacogenetic study and retrospective analysis of medical histories, database with  the results of the conducted studies was formed, basing on which machine learning models for predicting the risk of drug-induced liver damage were trained.

Results. The main prognostic factors included body mass index (relevance – 12.03 %) and carriage of AG genotype at polymorphic marker rs776746 of CYP3A5 gene (relevance – 10.04 %). Subsequently, for all obtained factors and based on Сategorical boosting a model for predicting the development of drug-induced liver damage with 57.8 % sensitivity and specificity of 80.7 % was developed.

Conclusions. A risk model for the development of drug-induced liver damage during remdesivir therapy was built using machine learning. Body mass index and carriage of AG genotype at polymorphic marker rs776746 of CYP3A5 gene turned out to be key markers. To improve the accuracy of the model, an increase in the proportion of patients with adverse reactions in the training sample is required. Further studies will improve the quality of the model and integrate it into clinical practice.
MARKETING OF ACADEMIC INTEGRITY: WIDER AND DEEPER THAN SIMPLE ADVERTISING
Authors: Artyukhov Artem
Published: January 2025

This article explores the "marketing of academic integrity" concept within higher education. It argues that promoting academic integrity requires a strategic and multifaceted approach, drawing parallels to traditional marketing concepts. A two-stage bibliometric analysis was conducted to investigate the existing research landscape. The absence of a direct link between "marketing" and "academic integrity" terms in this visualization further supports the argument for more research in this area. To address this gap, a framework for marketing of academic integrity is presented. This framework positions knowledge as the foundation, emphasizing the interconnectedness of knowledge economy, marketing, sharing, and management. Marketing of academic integrity emerges as a central concept, influencing and being influenced by other knowledgerelated activities. A cyclical model for marketing of academic integrity as a process is also presented. This model highlights the importance of research, stakeholder analysis, strategic planning, effective communication, and continuous innovation. This article emphasizes the need for a comprehensive and integrated approach to marketing academic integrity. It highlights the potential of marketing principles to promote a culture of ethical conduct within higher education and calls for further research to explore this promising area.
Evaluating AI-integrated educational content creation versus ChatGPT-assisted methods
Authors: Eleni Ioannou-Sougleridi  , Spyros Kopsidas  , Denis Vavougios  , Aggelos Avramopoulos  , Christos Simos  , Athanasios Kanapitsas  , Konstantinos Manolitsis
Published: January 2025

This study investigates the comparative effectiveness of two content creation methods in educational settings: the Manual Method, using ChatGPT to generate and upload content to Moodle, and the MoodleSense Method, an AI-powered extension of Moodle for content creation and management. The research evaluated four critical aspects: educator performance, time and resource efficiency, content quality and alignment with curriculum standards, and the impact on educator workload. The results demonstrated that MoodleSense outperformed the Manual Method across all four aspects, offering enhanced time efficiency, better content quality, and stronger alignment with curriculum standards. Furthermore, MoodleSense reduced the educators’ workload by automating key processes, enabling more effective content management. The findings contribute to a deeper understanding of AI’s role in education and offer insights into how educators can effectively integrate such technologies to enhance teaching practices.