bluuebunny/crossref_metadata_2025_split huggingface dataset:
SolPredictor: Predicting Solubility with Residual Gated Graph Neural Network
Authors: Ahmad Waqar , Tayara Hilal , Shim HyunJoo , Chong Kil To 
Published: January 2024

Computational methods play a pivotal role in the pursuit of efficient drug discovery, enabling the rapid assessment of compound properties before costly and time-consuming laboratory experiments. With the advent of technology and large data availability, machine and deep learning methods have proven efficient in predicting molecular solubility. High-precision in silico solubility prediction has revolutionized drug development by enhancing formulation design, guiding lead optimization, and predicting pharmacokinetic parameters. These benefits result in considerable cost and time savings, resulting in a more efficient and shortened drug development process. The proposed SolPredictor is designed with the aim of developing a computational model for solubility prediction. The model is based on residual graph neural network convolution (RGNN). The RGNNs were designed to capture long-range dependencies in graph-structured data. Residual connections enable information to be utilized over various layers, allowing the model to capture and preserve essential features and patterns scattered throughout the network. The two largest datasets available to date are compiled, and the model uses a simplified molecular-input line-entry system (SMILES) representation. SolPredictor uses the ten-fold split cross-validation Pearson correlation coefficient R2 0.79±0.02 and root mean square error (RMSE) 1.03±0.04. The proposed model was evaluated using five independent datasets. Error analysis, hyperparameter optimization analysis, and model explainability were used to determine the molecular features that were most valuable for prediction.
Synchronization of City Branding and Tourist Visit Interest using the Triple Helix Concept
Authors: Hanggraito Ahmadintya Anggit , Ratri Indira Nuansa , Cardias Esa Riandy 
Published: January 2024

The purpose of this study was to examine the relationship between the variable City branding and Tourist Visit Interest who have synchronized with the triple helix concept that runs in tourism in Banyuwangi district. City branding can be one way to increase Tourist Interest. The triple helix concept that was built connects these two variables because there are many stakeholders whose roles were affected during the COVID-19 pandemic. The Banyuwangi District Government is running a city branding program as an effort to restore the various pillars built in to Triple Helix Model. The method used is a mixed-methods type embedded design. For quantitative data analysis using SEM-PLS with a sample of 37 people. Then, to interpret the results, a qualitative descriptive analysis is needed through the results of focus group discussions and in-depth interviews with business actors and academics as part of the triple helix. The study indicates that the relationship between branding image and tourist interest has a latent variability of 42.0% in the structural model test results. This variable relationship in the Banyuwangi Rebound program has with the triple helix concept, especially in the business sector and academics in practice during the COVID-19 pandemic.
Organizational Rightsizing Analysis of the Existence of the DPD RI Office in the Provincial Capital of South Sumatera
Authors: Maulana Arief , Saptawan Ardiyan , Semil Nurmah 
Published: January 2024

This study aims to explain the effectiveness of organizational rightsizing of the DPD RI Office in the Capital City of South Sumatra Province as a supporting system for DPD RI members in carrying out their roles as regional representatives. The research method used is a qualitative method with a descriptive approach. Using structured interviews, participant observation, and documentation, data was collected. Meanwhile, data validation uses triangulation techniques. Selecting informants believed to comprehend the research problem to yield primary data (purposive sampling). Data analysis was carried out using the interactive model of Miles, Huberman and Saldana (2014). The results showed that 2 of the three aspects of the organizations rightsizing could have gone better. From the aspect of strategic policy, it has reflected a picture of the conditions and conditions to be realized in 2020-2024. From the aspect of the division of organizational units, the Office has not relied on the principles of rightsizing the organization. From the aspect of integrating people (apparatus HR management), the needs of employees in the Office are not following the organization's requirements. Based on these findings, this study concludes that the Office's functions in managing constituent aspirations are not optimal due to failure to meet two of the three rightsizing requirements for the office organization.
Rewaloryzacja Domu Deskurów w procesie rewitalizacji Miasta Kazimierzowskiego w Radomiu
Authors: Gaweł Dariusz 
Published: January 2024

Artykuł jest studium przypadku odbudowy kamienicy zlokalizowanej w pierzei rynku miejskiego będącej efektem prac rewitalizacyjnych Miasta Kazimierzowskiego w Radomiu. Znaczenie przekształcania funkcjonalnego i remontu niektórych budynków jest szczególnie istotne dla powodzenia skomplikowanego procesu rewitalizacji starych dzielnic miejskich. Dlatego kluczowym efektem działań o charakterze decyzyjnym i administracyjnym, staje się akceptacja społeczna mieszkańców, dostępność lokalizacyjna oraz wielofunkcyjność obiektu. W celu potwierdzenia wstępnych założeń posłużono się prostym badaniem ilościowym osób odwiedzających obiekt. Powiazanie wieloletnich działań powinno zaowocować ożywieniem społecznym i kulturalnym zapomnianych wyeksploatowanych dzielnic posiadających nie tylko walory historyczne i zabytkowe, ale również odpowiadającym na współczesne zapotrzebowanie społeczne. W przyszłości długotrwałe działania powinny zostać skorelowane z zapisami w innych programach operacyjnych i strategicznych w mieście. Niniejsza praca oparta jest na krytyce literatury fachowej, zestawionej z zapisami w dokumentach prawa miejscowego oraz badaniami społecznymi.
Density functional theory study on the effect of NO annealing for SiC(0001) surface with atomic-scale steps
Authors: Uemoto Mitsuharu , Funaki Nahoto , Yokota Kazuma , Hosoi Takuji , Ono Tomoya 
Published: January 2024

Abstract
The effect of NO annealing on the electronic structures of the 4H-SiC(0001)/SiO2 interface with atomic-scale steps is investigated. The characteristic behavior of conduction band edge (CBE) states is strongly affected by the atomic configurations in the SiO2 and the step structure, resulting in the discontinuity of the CBE states at the step edges, which prevents electrons from penetrating from the source to drain and decreases the mobile free-electron density. We found that the behavior of the CBE states becomes independent from the atomic configuration of the SiO2 and the density of the discontinuities is reduced after NO annealing.
The price of agave in Mexican states holding Designation of Origin of Tequila status, and its systematic depreciation over the forthcoming decade (2000-2031)
Authors: Díaz Castellanos Rafael 
Published: January 2024

In the last two decades, the price of agave in states holding Designation of Origin of Tequila (DOT) status has been subject to uncertainty. This mixed sequential investigation identifies the variables that affect its value, verifying the cause of the problem. Using Minitab software, Pearson’s correlation analysis is applied to the most important variables and time-series predictive methods are applied to forecast them. The correlation analysis verified that the production of agave is not correlated with its price, in contrast to the production of tequila, its export and the income from its export. Since 2016, the price and production of agave systematically reduced its annual average growth until reaching negative levels in 2021, contrary to the production, export of tequila and its income (the five variables maintain this trend for the next 10 years). It is shown that the problem of the agave price at the end of the last decade is not due to imbalances in its supply, suggesting that the oligopoly of leading companies of the tequila agroindustry in Mexico controls its value.
Conflict, Pedagogy, and Supervision. Exploring Theoretical Investigations and Practical Reflections on Educational Work
Authors: D'Antone Alessandro 
Published: January 2024

This paper delves into the intricate relationship between conflict, pedagogy, and supervision, focusing on theoretical investigations and practical reflections within the field of educational work. The theoretical investigations encompass various frameworks, including philosophical, critical pedagogy, and group-analytic perspectives, aiming to better define the complexity of the relationship betwe en conflict and education. In this sense, the study explores the role of pedagogy in understanding social and political conflicts, while also deepening the function of supervision within educational practices. Through pedagogical supervision, professionals can create a reflective environment that fosters personal and professional growth, even in contexts characterized by emergency interventions, trauma, and temporal and spatial limitations within the educational setting. By reconstructing a practical experience, the article aims to provide some interpretative guidelines for educators, supervisors, and pedagogists who work towards establishing critical-reflexive environments, particularly within emergency intervention contexts.

Conflitto, pedagogia e supervisione. Indagini teoriche e riflessioni pratiche sul lavoro educativo.
L’articolo approfondisce l’intricata relazione tra conflitto, pedagogia e supervisione, concentrandosi su indagini teoriche e riflessioni pratiche nell’ambito del lavoro educativo. Le indagini teoriche comprendono diversi quadri teorici, tra cui prospettive filosofiche, di pedagogia critica e gruppo-analitiche, per meglio definire la complessità del rapporto tra conflitto e educazione. In questo senso, il lavoro esplora il ruolo della pedagogia nella comprensione dei conflitti sociali e politici, approfondendo anche la funzione della supervisione entro le pratiche educative. Attraverso la supervisione pedagogica i professionisti possono creare un ambiente riflessivo che favorisca la crescita personale e professionale, anche in contesti caratterizzati da interventi di emergenza, traumi e limitazioni spazio-temporali del setting educativo. Tramite la ricostruzione di un’esperienza pratica, l’articolo mira a fornire alcune linee interpretative per educatori, supervisori e pedagogisti che lavorano all’istituzione di ambienti critico-riflessivi, in particolare all’interno di contesti emergenziali di intervento.
Words imprison or grant freedom? Outcomes of an almost experimental study on the use of violent communication
Authors: Piccioli Marianna 
Published: January 2024

Communication plays an important role in the construction of democratic societies and the dissemination of values such as freedom and equality. The use of language is a fundamental part of human development, both historically and culturally. Words, as constantly evolving organisms, possess immense power, and their usage should be responsible, especially during formative processes. The contribution aims to provide some answers to the questions that guided it. What kind of learning does exposure to ‘violent’ communication generate? To what extent do individuals exposed to this type of communication feel free to express themselves, or are they confined to judgmental categories and trapped within them? What type of communication causes suffering in individuals undergoing formation?

Le parole imprigionano o danno libertà? Esiti di uno studio quasi sperimentale sull’uso della comunicazione violenta.
La comunicazione ha un ruolo importante nella costruzione delle società democratiche e nella diffusione dei valori di libertà e uguaglianza e l’uso del linguaggio è parte fondamentale dello sviluppo dell’uomo sia dal punto di vista storico che culturale. Le parole, organismi in continua evoluzione, hanno perciò un potere immenso e il loro utilizzo dovrebbe essere responsabile soprattutto durante i processi formativi. Il contributo intende fornire alcune risposte alle domande che lo hanno guidato. Che tipo di apprendimento genera l’esposizione ad una comunicazione violenta? Quanto le persone esposte a questa tipologia di comunicazione si sentono poi libere di esprimersi oppure relegate in categorie giudicanti e ingabbiate in queste stesse categorie? Quale tipologia di comunicazione genera sofferenza nei soggetti in formazione?
Il contributo intende fornire alcune risposte alle domande che lo hanno guidato. Che tipo di apprendimento genera l’esposizione ad una comunicazione ‘violenta’? Quanto le persone esposte a questa tipologia di comunicazione si sentono poi libere di esprimersi oppure relegate in categorie giudicanti e ingabbiate in queste stesse categorie? Quale tipologia di comunicazione genera sofferenza nei soggetti in formazione?
School as a political agent: the formative and recurring role of schools in society
Authors: Angelini Valeria 
Published: January 2024

The paper aims to explore the political role of schools and the importance of democratic education in the contemporary context. Education is a crucial factor in shaping future generations for change in societies. School, as a central institution in the educational process, plays a fundamental role in promoting democratic values and providing individuals with the necessary skills to actively participate in political life. It takes a critical and reflective perspective on the political role of schools and the importance of democratic education for the development of more inclusive, balanced and democratic societies.

La scuola come agente politico: il ruolo formativo e ricorrente della scuola nella società.
Il contributo si propone di esplorare il ruolo politico della scuola e l’importanza dell’educazione democratica nel contesto contemporaneo. L’educazione è un fattore cruciale nella formazione delle future generazioni per il cambiamento delle società. La scuola, come istituzione centrale nel processo educativo, svolge un ruolo fondamentale nel promuovere valori democratici e fornire agli individui le competenze necessarie per partecipare attivamente alla vita politica. Si pone come una prospettiva critica e riflessiva sul ruolo politico della scuola e sull’importanza di un’educazione democratica per lo sviluppo di società più inclusive, equilibrate e democratiche.
Nursing Teaching-Learning Process in Virtual Environments-Perspective of Teachers and Students
Authors: Solorzano-Aparicio Mary Luz , Zapata-Silva Irene Mercedes , Meneses-La-Riva Monica Elisa , Morales-Garcia Wilter C. , Poland Ana Da Costa , Cabanillas-Chavez Maria Teresa 
Published: January 2024

The Teaching-Learning Process (PEA) in virtual environments requires permanent adaptation to change. Objective: to analyze the perception of the quality of the PEA in virtual environments and propose alternatives for improvement. Method: study with a qualitative approach of ethnomethodological design, through semi-structured interviews and dialogue/debate in focus groups. The sampling was non-probabilistic for convenience according to the saturation point. Results: seven categories emerged: 1) Quality of the PEA in virtual environments: motivation, active methodology and collaborative learning; 2). Limiting; 3). Strengthening of the active methodology: equipment and teacher-student interaction; 4). The tutorial processes strengthen both; 5). The value of practice; 6). Roles focused on theory-practice interaction; 7). Challenges and opportunities. Conclusion: The quality of the PEA in nursing in virtual environments is a process under construction, the challenges and opportunities concern everyone in logistical aspects and academic effort; viable thanks to the commitment of the participants and the resilience of the students.

Received: 9 July 2023 / Accepted: 15 December 2024 / Published: 5 January 2024
Social Impact Assessment in Urban Security Management Projects: A Case Study from Pakistan
Authors: Ghani Usman , Toth Peter , David Fekete , Varga Eniko , Baracskai Zoltán 
Published: January 2024

Public safety and security management projects are devised to reduce crime, fear and calamities by prevailing law and order to reduce the harm in society. In a certain context, social impact assessment is a novel way to reveal the extent of effectiveness for these projects. This case study presents an Expert System based methodology regarding social impact assessment for two urban security management projects in Pakistan. An Expert System, DoctuS is employed as a tool to build a rule-based model tool using social impact attributes (as variables) from literature and expert knowledge (Author’s own insight as being involved in projects). Case-based reasoning (CBR) method is employed for the measurement of the impact of urban security management KPIs (Key Performance Indicators) in the two case projects. The empirical findings in this case study approaches the impact assessment by quantitative analysis of crime rates in JMP statistical package and Qualitative Expert knowledge-based model in DoctuS. Thereby, the study evaluates the pre and post ante project situations in order to assess the project’s effectiveness and impact on improved urban safety and security. In the first step, the projects are briefly described, followed by the crime rate analysis under the project jurisdictions and rules between attributes are defined. The second step defines the qualitative rule-based model along with the two cases described, and validated in DoctuS tool. Some attributes and rules have changed, and a new concise model is presented. The Expert System compares the project cases and evaluates the social impact assessment based on the defined KPIs. The Expert system validation presents a novel model for social impact assessment of subject urban security management projects. We propose this methodology and model as useful in investigating social impact assessment of projects specifically dealing with urban safety and security management. However, the generalizability of the findings of this case-study based articles need more sophisticated tests as recommendation for the extension to this study.

Received: 31 May 2023 / Accepted: 19 November 2023 / Published: 5 January 2024
Analyzing Online Sexual Grooming of Minors and the Case of the Albanian Criminal Framework
Authors: Veleshnja Ina , Hoxha Dorina 
Published: January 2024

Out of all of the digital sex crimes that have emerged during the revolution that is happening to technology, sexual grooming of minors, is one of the most problematic and unaddressed criminal phenomena. Sexual grooming of minors has moved from the offline realm to the online realm, becoming a tangible concern to all of the children who surf the Internet daily. Today, pervasive internet connectivity has propelled cybercrime to the forefront of law enforcement concerns globally. Particularly, social media platforms have become the favored and easily accessible tools for perpetrators, amplifying the incidence of digital sex crimes. This situation is exacerbated by the inherent dangers of online sexual grooming, which serves as a precursor to child sexual abuse. While not always an obligatory step preceding such abuse, the distinct characteristics of online sexual grooming underscore its heightened concern and complexity. This article delves into the dynamics of the sexual grooming of children, exploring its patterns, offenders’ and victims’ typology, and relevant legal framework in juxtaposition with the analysis of the Albanian criminal framework regarding this issue. For writing this article, we have used the Desk Review approach method as well as analyzing relevant legal frameworks where necessary, among other aspects.

Received: 7 September 2023 / Accepted: 7 December 2023 / Published: 5 January 2024
The Retrenchment or Continuous Global Engagement
Authors: Dumani Alketa , Tomja Alida 
Published: January 2024

This article investigates America's global role by addressing three research questions and a central hypothesis. The research questions explore the impact of international partnerships on U.S. engagement, presidential strategies, and evolving public sentiment. The hypothesis suggests that U.S. retrenchment influences global governance and security dynamics. The literature review covers historical perspectives, presidential approaches, public opinion, scholarly debates, and global significance. Qualitative research methods involve data synthesis and comparative analysis. The article examines how recent presidents, like Obama, Trump, and Biden, approached global engagement. It notes shifts in American public opinion from skepticism to divided perspectives on domestic priorities versus global involvement. Scholarly debates encompass retrenchment, realism, and the importance of U.S. global leadership. The study emphasizes the need for continued American leadership in maintaining global stability, promoting democracy, and addressing emerging challenges. In conclusion, this article provides a succinct examination of America's worldwide role, emphasizing its complex dynamics and the vital significance of continued U.S. leadership in the international sphere.

Received: 4 October 2023 / Accepted: 21 December 2023 / Published: 5 January 2024
Scientific Production on Legal Translation (1988-2023): A Bibliometric Analysis
Authors: Barturen Mondragón Eliana Maritza , Quezada Castro María del Pilar , Castro Arellano María del Pilar , Quezada Castro Guillermo Alexander 
Published: January 2024

Legal translation is a discipline that identifies the different legal systems based on the interpretation of a text. This research was developed based on a bibliometric analysis of scientific production. The Scopus database was selected because it is multidisciplinary and brings together high-impact journals. The methodology incorporated the bibliometric analysis of 417 articles and the application of the documentary analysis technique. The results obtained show that scientific production has increased in recent years and that the most frequently used terms are legal translation, legal language, legal terminology, and comparative law. Likewise, the most productive journals in the field of legal translation belong to quartile 2. In the same line, the most productive authors have 8 registered articles and Spain is the country that stands out for the total number of articles and citations. Similarly, the skills of the legal translator were identified, who must be conceptually congruent, strategic, and multilingual. It was concluded that legal translation is a subject that is projected to continue to grow moderately in terms of scientific production.

Received: 11 June 2023 / Accepted: 25 November 2023 / Published: 5 January 2024