bluuebunny/crossref_metadata_2025 huggingface dataset:
Evaluation of the polarity effect of Roos parallel plate ionization chamber in build-up region
Authors: Al-Aghbari Arwa Ahmed
Published: August 2022

Purpose: Despite widespread studying of the polarity effect of Roos parallel plate ion chamber in electron beams as mentioned in several protocols, no investigations have up till now studied this effect in photon beams in the build-up region. It is important to examine its polarity effect in the build-up region for photon beams, so this is the first work that focuses in to evaluate the polarity effect of the Roos chamber in the surface and build-up region and comparing its effect with other chambers.

Methods: In this study, the Roos chamber was irradiated by a Theratron 780E 60Co beam to a known polarity effect. The Polarity effects of 5×5 up to 35×35 cm2 field sizes at positive and negative polarizing voltages were measured in the build-up region from surface to 0.7 cm in a solid water phantom.

Results: The polarity ratios (PRs) were obtained at 1.020 ± 0.00 and 1.015 ± 0.00 for field sizes 5 × 5 up to 35 × 35 cm2, respectively. For the same fields, the percentage of polarity effects (%PEs) was obtained at 1.99% ± 0.00% and 1.47% ± 0.02%, respectively. The results found that the %PEs decrease with increased field sizes and depths. Moreover, the %PEs exhibited a decrease with an increased percentage surface dose (%SD). The uncertainty of %PE was estimated as 0.01% for all measurements in this study.

Conclusions: As a result, the average %PE of the Roos chamber described here is equal to 0.756% ± 0.013% for all depths and field sizes for the 60Co γ-ray beam. It has introduced a less percentage of polarity effect than other chambers.
Liberalisation and spatio- temporal patterns of air traffic flow from Nigeria to West Africa
Authors: Oluwakoya Adeniyi Olufemi , Ajayi Dickson Dare
Published: August 2022

The liberalisation of aviation policies across Africa has had a significant impact on air traffic flow within the region. This study aims to examine the effects of this policy, with a specific focus on Nigeria’s regional connectivity to other West African countries. By analyzing data from the pre and post-liberalisation eras, the study aims to determine the changes in passenger and aircraft movement and evaluate the significance of the policy on Nigeria’s sub-region.

The study utilizes a longitudinal data set covering the period between 1988 and 2018. This data is divided into two eras: the pre-liberalisation era (1988-2000) and the post-liberalisation era (2001-2018). To assess the impact of liberalisation, a t-test is conducted on the data, comparing the air traffic flow patterns before and after the implementation of liberalisation policies.The findings reveal a substantial improvement in the air traffic flow of passengers and aircraft from Nigeria to other West African countries since the introduction of liberalisation policies. The growth patterns observed in the post-liberalisation era exhibit a linear trend, indicating sustained progress. However, uncertainties arising from hazards in air transport operations can influence the growth patterns.The study underscores the positive impact of African aviation liberalisation policy on air traffic flow, particularly in the regional context of Nigeria’s connectivity with other West African countries.

The results demonstrate significant improvements in passenger and aircraft movement. However, to fully capitalize on the benefits of liberalisation, regional efforts and an improved framework need to be intensified. This will ensure sustained growth and maximize the advantages of liberalisation in the aviation sector.
The 19552 Steel Forging Die Surface Layers Strenghtening
Authors: Bílik Jozef , Šuba Roland
Published: August 2022

The paper briefly describes factors influencing the effectivity of forgings production. It focuses on lifetime of forging dies and possibilities of surface layers mechanical strengthening application. Included are also the results of experiments in the area of surface layer strengthening of forging die tool steels by shot peening. The article presents the results obtained on the basis of monitoring the influence of the initial hardness on the surface roughness after shot peening and on the course of hardness in the surface layer after shot peening. The results of the experiments confirmed the beneficial effect of mechanical reinforcement (strengthening) on the final properties of surface layer.
Sustainability Aspects of Parts Additive Manufacturing from Metal Powder
Authors: Šuba Roland
Published: August 2022

In recent times, demand for sustainable products and systems keeps increasing. It is guided by need for reduction of energy and material consumption. Powder metallurgy (PM) has generally lower energy consumption and higher material yield than other conventional processes, such as casting, forming and machining. Also some additive manufacturing (AM) techniques use metal powder as feedstock. In this paper, the energy consumption and material yield of AM techniques using metal powders are compared with conventional manufacturing.
Influential Aspects to Robotic Cell Energetic Efficiency: Overview
Authors: Bočák Róbert , Holubek Radovan
Published: August 2022

This paper focuses on the input parameters that affect the resulting efficiency of a robotic workplace for industrial use. The aim of the investigation was to find which parameters most significantly affect cycle time and electricity consumption, and which way of movement is the most suitable for robotic operation. By finding the most suitable parameters, we obtain the information on how to build the most efficient robotic workplace. The investigation focused mainly on the energy consumption and layout of the robotic work cells components that significantly affect the cycle time and potentially save electric energy.
A Brief Survey of Creating a Digital Twin Architecture for Virtual Commissioning on the Machine Level
Authors: Kopček Michal , Križanová Gabriela , Ružarovský Roman
Published: August 2022

Digitalization is a hot topic today in every business, affecting the whole life cycle of a process or a product. This paper focuses on the design phase of automation systems, especially creating a digital twin of a machine to support the software development of the control system and its virtual commissioning. Different simulation model architectures are introduced, as well as specific use-case. The main objective of this paper is to present three basic types of digital twin architectures for virtual commissioning of production devices and systems. These architectures were investigated and built based on predefined requirements. Collaborative project work for the development of the digital twin and efficiency was defined as one of the requirements. Efficiency is required due to the software and hardware used for the digital twin. Architectures such as centralized, basic distributed and completely distributed were introduced in the paper. Based on the results from observation and testing, the authors recommend using the concept of completely distributed architecture of the digital twin based on the defined requirements. This digital twin architecture separates mechanical engineering and automation engineering with respect to PC stations. Nevertheless, it interconnects them using the standard machine-to-machine software and communication interfaces.
Analysis of Heat Pumps Efficiency in Selected Locations – A Case Study
Authors: Ołtarzewska Agata , Krawczyk Dorota Anna
Published: August 2022

Heat pumps are increasingly popular in individual buildings and could help to meet expectations of ambitious energy-environmental European goals until 2050. This paper presents the results of energy simulations conducted in TRNSYS for a single-family building depending on its location in selected European cities. For each city, air source heat pump (ASHP) was considered as an energy source for heating and cooling the building, and then an economic analysis was carried out including investment costs of air source heat pump and a comparison of operating costs of ASHP with other alternatives (i.e. gas boiler, oil boiler, or air conditioners). The results of the simulations showed that with the current energy prices the use of air source heat pumps is the most beneficial in temperate warm transitional climate (Krakow). It was also indicated that the implementation of special tariffs (reduced prices) for electricity that supplies renewable energy devices would make heat pumps unmatched as a source of heating and cooling in the residential sector.
Affordability Crisis and Gentrification in FDI Export-Led Economies: Prices in the Demanddriven Housing Market of Cluj-Napoca
Authors: Petrovici Norbert , Bejinariu Vlad , Marţiş Diana , Aluaş Vlad
Published: August 2022

This paper examines the rapid increase of prices in the residential sector of Cluj-Napoca in the context of the housing affordability crisis (Wetzstein, 2017). By using insight from the Growth Regimes literature, we look at the internal demand as a main driver of rapid price rise. As Kohl and Spielau (2018) argue, the monetary conditions needed for export-led growth regimes are restricting the outputs of the construction sector, creating under-supplied, demand-driven housing markets. We propose three alternative hypotheses regarding the major agent driving the prices within the city as major source of demand: the employees in knowledge-intensive services, the diffuse regional savings of employees in search for some yields, the specialized real estate investors. We use OLS and spatial regression (lag and error) to model the price per square meter using the social composition of the neighbourhoods, the within and out-of-town origin of investors, and the source of money (bank loans vs. cash payment) to demonstrate that the existing crisis is driven by the middle class’s savings that also benefits from gentrification, while speculative investments in the housing markets are rather limited.
Furthering Social Justice for Disabled People. A Framework Based on Amartya Sen’s Capability Approach
Authors: Bajmócy Zoltán , Mihók Barbara , Gébert Judit
Published: August 2022

Understanding disability as a social phenomenon opened up the way for disability studies and social justice theories to mutually benefit from each other. One of the most significant recent advancements in the field of social justice has been the capability approach (CA) of Amartya Sen. The present paper builds on the CA to analyse disability form a social justice perspective. We argue that the CA provides several advantages when conceptualizing disability and furthering justice for disabled people. The objective of the paper is to develop a framework for analysis on the basis of the CA and to apply it through the case of D/deaf and hardof- hearing children and their carers in Szeged, Hungary. We demonstrate that the advancement of justice occurs through the scrutiny and comparison of feasible alternatives instead of arguing for principles or institutional guarantees of perfectly just societies.
NOVOS PROBLEMAS E VELHAS FRAGILIDADES:
Authors: Colombani Fabiola , Yazawa Thaís , Ferreira Pinto Felipe
Published: August 2022

Com a extrema necessidade de isolamento social pela pandemia de covid-19, o ensino superior precisou reformular as aulas presenciais. A educação passou por diversas adaptações e, como consequência, os professores tiveram que adotar como medida emergencial novos métodos tecnológicos para o formato remoto. Assim, este artigo tem como objetivo apontar e discutir algumas experiências que nasceram de estratégias planejadas com o intuito de abrandar o impacto negativo causado pelo cenário pandêmico. Para tanto, foram utilizados como objeto de análise alguns relatos detalhados acerca das práticas de ensino e aprendizagem vivenciadas ao longo dos meses e que retratam as sensações e sentimentos dos docentes diante de algo até então inusitado. Cabe dizer que este trabalho aponta os desafios vividos por professores nativos do ensino presencial, com pouco ou nenhum conhecimento em educação a distância, e que desenvolveram as ações educacionais estabelecidas por diferentes instituições.
La Renaissance de Tacite - Commenter les Histoires et les Annales au XVIe siècle
Authors: Bovier Kevin
Published: August 2022

Au XVIe siècle, les humanistes commentèrent pour la première fois les Histoires et les Annales de l’historien romain Tacite. L’objectif de cette étude est de montrer les intérêts et les méthodes de travail de ces commentateurs, ainsi que les stratégies qu’ils développaient pour faciliter l’accès du lectorat au texte antique. Comment les commentaires étaient-ils élaborés ? Pour quel public ? Ces travaux érudits ont-ils permis à Tacite de gagner le statut d’auteur majeur à la fin du XVIe siècle ? En répondant à ces questions et à d’autres encore, l’auteur tente de redéfinir la place de Tacite dans le mouvement humaniste du XVIe siècle et d’offrir de nouvelles perspectives sur la transmission et la réception de ses œuvres à la Renaissance.
Review of Image Encryption using Different Techniques
Authors: M. Abdullah Rozin , Rajab Abrahim Araz
Published: August 2022

Encryption is one of the measures that ensure the security of images used in various fields such as military understanding, secure clinical imaging offices, Internet and intranet media, electronic banking, and individual association images such as Facebook, WhatsApp, Twitter, etc. On this huge number of images that are sent in a free and open link either during selection or messaging; Then their security ends up being a central need in individual insurance organizations and the arrangement. This article audits and summarizes various image encryption systems to further develop advanced image encryption strategies that operate with expanded flexibility and security.
State of Art Survey for Designing and Implementing Regional Tourism Web based Systems
Authors: Mohammed Abdulrahman Lozan , R. M. Zeebaree Subhi , Omar Naaman
Published: August 2022

In today's society, technology development is very rapid, especially internet development, which significantly facilitates human work in various fields such as the military, offices, factories, medical, and directorates. Tourist information management systems (TIMS) are becoming more popular as the tourism industry grows and becomes one of the most profitable businesses in the world. People have been more reliant on such technologies in recent years. In terms of the systems themselves, they have progressed from being systems in which users can only passively absorb information to systems that attempt to incorporate users as an integral system element. The purpose of this study has been to investigate whether different types of systems implemented by different tourism authorities have had a certain positive impact on their operations in the form of facilitating tasks for their staff. The work is made up of 20 studies that looked at whether their designed web-based technologies, which were applied in their operations, have facilitated the employees' tasks.
Cruzando la Línea
Authors: Herrera Zarate Álvaro Ricardo
Published: August 2022

Arte, deporte y performance son tres conceptos que se cruzan en un mundo alejado del Olimpo glorioso, el cual creyó recuperar el Barón de Coubertin. Lance, Ben Johnson y Maradona son algunos ejemplos del asenso y caída de los ídolos deportivos que tanto acapararon los encabezados de los medios de comunicación. Nike, Puma, Reebok y Adidas, son las principales multinacionales del deporte, que se pelean medalla a medalla, el triunfo en los Olímpicos, importando cada vez menos, las banderas nacionales. Desde Berlín 1936 hasta los relatos personales de un deportista amateur, se trazará una historia discontinua, donde la única continuidad posible es el dopaje.
Legal Regulation ensuring Security in the Regions of the Russian Federation bordering Ukraine
Authors: Ilyushchenko Aleksandr Aleksandrovich
Published: August 2022

The subject of the study is the legal norms regulating the basics of protection of the population and territories from emergency situations, including in conditions of armed conflict. The object of the study is the social relations developing in the field of provision of public security in the border territories of the Russian Federation. The relevance of the research topic is due to the combination of legal and practical circumstances. The author examines in detail such aspects of the topic as issues of internal and external security, fire safety and protection of the population and territories from man-made emergencies, civil defense measures and actions to counter terrorism in the regions bordering Ukraine since the beginning of a special military operation on February 24, 2022. The novelty of the research lies in a comprehensive analysis of legal and organizational problems in the event of new threats with the use of weapons in the Russian border regions with the proposed differentiation of individual processes for the protection of the population, which is necessary to build a high-quality and understandable system for ensuring public security on the territory of the Russian Federation. The mechanism of the established interrelations in the system of ensuring defense and security in armed conflicts outside the territory of the Russian Federation to ensure the state of protection of the individual, society and the state in the border regions of Russia is substantiated. It is proposed to comprehend the legal regime through which, in reality, the ordering of both the public security system itself should be achieved in conditions of regular manifestations of hostile military actions, and the components of this system for military security, civil defense, protection of the population and territories from natural and man-made emergencies, fire safety.
BENEFÍCIOS DA EQUOTERAPIA NO DESENVOLVIMENTO PSICOMOTOR DE UMA CRIANÇA COM ESPECTRO AUTISTA
Authors: Chaves Sabrina , Tomazelli Camargo Amanda , Romanovitch Ribas Danieli Isabel
Published: August 2022

RESUMO: Este estudo tem como objetivo avaliar os benefícios da Equoterapia no desenvolvimento neuropsicomotor de uma criança com espectro autista. Caracteriza-se por ser um estudo de caso aprovado pelo CEP sob parecer 4.379.204, e pelo CEUA/CONCEUA sob parecer 001, realizado de acordo com a Resolução 466/12, no Regimento da Polícia Montada Coronel Dulcídio, na cidade de Curitiba PR, com um participante com diagnóstico de Autismo moderado, selecionado por conveniência, sexo masculino, cinco anos. Após a assinatura do Termo de Consentimento Livre e Esclarecido pela responsável legal do participante, o participante selecionado foi submetido à avaliação do desenvolvimento neuropsicomotor, por meio, da Bateria de Teste Rosa Neto pré e pós aplicação de 12 atendimentos de Equoterapia, realizados duas vezes na semana, com duração igual a 30 minutos cada atendimento. Ao comparar os resultados obtidos nos períodos pré e pós aplicação da Equoterapia foi verificada que a idade motora geral e o quociente motor geral apresentaram aumento em seus valores de oito meses e 11 meses respectivamente promovendo redução de nove meses no atraso motor do participante do estudo. Ao analisar as habilidades motoras, foi possível observar ganho de 12 meses para o equilíbrio e de 36 meses para o esquema corporal, as demais habilidades (motricidade fina e global, organização espacial, organização temporal e lateralidade) mantiveram seus valores iniciais. O estudo demonstrou que Equoterapia proporcionou melhora no desenvolvimento neuropsicomotor de uma criança com TEA, favorecendo principalmente as habilidades motoras equilíbrio e esquema corporal.
Políticas científicas y tecnológicas para la gestión del conocimiento en instituciones universitarias
Authors: Linares-Morales José , Geizzelez-Luzardo María
Published: August 2022

El objetivo del presente artículo reflexivo es analizar la contribución de las políticas públicas en materia de ciencia y tecnología sobre la gestión del conocimiento en las instituciones universitarias donde este se genera. Se fundamenta en los aportes de autores como Davenport et al. (1998), Aparicio (2009), Polanyi (2015), Nonaka y Takeuchi (1995) en cuanto a gestión del conocimiento; Berosca (2013), Parra (2007), Piñero y otros (2011) en materia de políticas públicas en ciencia y tecnología; y otros como North (1998) y Hodgson (2011) sobre la teoría institucional. La investigación se tipifica como documental y descriptiva, ya que propicia el estudio de la forma en que se vinculan la ciencia, tecnología, políticas públicas y gestión del conocimiento. Al respecto se hace énfasis en la importancia de las políticas públicas implementadas bajo principios y valores que sirven de apoyo a la gestión dentro de las universidades tanto en el ámbito científico y tecnológico como en la administración del conocimiento generado. Entre las consideraciones finales destaca la articulación que, dentro del marco de la institucionalidad como reglas del juego, existe entre ciencia, tecnología y conocimiento, para que la universidad desarrolle, con responsabilidad y pertinencia, su papel como actor de políticas públicas.
Normatividad de riesgos laborales en Colombia y su impacto en el sector de hidrocarburos
Authors: Ahumada-Villafañe Irlena , Escudero-Sabogal Irina , Gutiérrez-Jaraba Johon
Published: August 2022

El presente artículo de revisión analiza cualitativamente la normativa de riesgos laborales en Colombia y su impacto en el sector de hidrocarburos, utilizando la literatura científica disponible en las bases de datos Science Direct, PubMed, Scielo, Redalyc y páginas Web oficiales, con palabras de búsqueda: seguridad y salud en el trabajo, riesgo laboral, hidrocarburos, sostenibilidad. Donde se obtuvo información pertinente relacionada con el objetivo propuesto, la cual se presenta en 3 secciones: sistema general de riesgos laborales, cambios en la normatividad, el sector de hidrocarburos y los riegos laborales. Para Colombia se estima que el costo total de la accidentalidad “podría alcanzar el 1,5% del PIB”. En Colombia se vio un incremento de accidentes laborales, probablemente explica no solo el aumento de los mismos sino por el aumento en el reporte de accidentes laborales. Según el Ministerio de Salud y Protección Social en 1994 calificaron como accidentes laborales un total de 136.767, para el año 2008 un total de 360.800, más del doble del año 1998.
Bibliometric Analysis of Indian Journal of Palliative Care from 1995 to 2022 using the VOSviewer and Bibliometrix Software
Authors: Srivastava Rajashree , Srivastava Shikha
Published: August 2022

Introduction:

The Indian Journal of Palliative Care (IJPC) is an open-source, interdisciplinary and peer-reviewed journal started in 1994 that publishes high-quality articles in the field of palliative care in India. The purpose of this study is to analyse the bibliometric data of its publications using bibliometric analysis to understand the key bibliometric factors affecting the journal and its contribution to the field of palliative care research.

Material and Methods:

A software-assisted bibliometric analysis of the IJPC was conducted. The dimensions database was used to mine the bibliometric data of the journal from 1995 to 2022. A total of 1046 records were analysed using the VOSviewer and Biblioshiny by Bibliometrix software.

Results:

The analysis represented a vivid and graphically elaborate picture of the journal. It gives insight into the most productive and influential authors, countries, affiliations, sources and documents along with a picture of the network among them.

Conclusion:

This study highlights a gradual upward trend in the annual production of the journal. A strong connection of the IJPC could be seen with leading journals publishing in the field of palliative care globally.
Risk factors associated with the severity of pneumonia in a cohort of hospitalized children in a rural setting
Authors: Barday Mohammed Mikhail , Slogrove Amy Louise , Engelbrecht Arnoldus Lourens
Published: August 2022

Objectives:

Pneumonia remains a leading cause of death in South African children under 5 years of age. Known risk factors for pneumonia have been the focus of public health strategies to mitigate disease. This study aimed to determine whether adverse household environmental factors were associated with severe compared to non-severe pneumonia in children admitted to Worcester Provincial Hospital (WPH), South Africa.

Materials and Methods:

We conducted a case–control study at WPH from January 1st to December 31st, 2019, including children aged 0–59 months admitted with pneumonia. Using the WHO definition, children were categorized as having severe or non-severe pneumonia. Structured interviews with consenting primary caregivers were conducted in both groups on weekdays throughout the year to collect demographic, social, maternal, infant, and household factors. We compared the odds of adverse household environmental factors including tobacco smoke exposure, indoor smoke exposure, and overcrowding in children with severe compared to non-severe pneumonia.

Results:

A total of 305 children were included, 134 (43.9%) cases with severe pneumonia and 171 (56.1%) controls with non-severe pneumonia. Baseline characteristics of children, including age (median 6.9 months; IQR 2.5–17.5), appropriate nutritional status (81.6%; n = 249), and HIV unexposed and uninfected status (81.3%; n = 248), were similar between groups. Caregiver characteristics, including age (median 28 years; IQR 23–33), secondary schooling (71.2%, n = 217), and HIV negative status (81%, n = 247), were also comparable between groups. There was no association in univariable or multivariable analysis between severe pneumonia and adverse household environmental factors including tobacco smoke exposure (aOR 0.73; 95% CI 0.44–1.21), overcrowding (aOR 0.65, 95% CI 0.39–1.08), and indoor smoke exposure (aOR 2.85; 95% CI 0.89–9.09). However, children with severe pneumonia had at least 5 times greater odds (aOR 5.42; 95% CI 1.10–26.65) of living in a household with a pit latrine toilet compared to any other toilet than children with non-severe pneumonia.

Conclusion:

Few factors were found to be associated with pneumonia severity, except for living in a household with a pit latrine toilet. This may represent socioeconomic vulnerability and the risk associated with developing severe pneumonia.
Non-operative treatment for low back pain: A review of evidence and recommendations
Authors: GARG BHAVUK , GEORGE JAIBEN , MEHTA NISHANK
Published: August 2022

Background

Low back pain (LBP) is a healthcare problem with high global prevalence, with non-operative management being the first line of treatment in the majority of patients. This literature review summarizes the current evidence for various modalities of non-operative treatment for LBP.

Methods

We did a literature search to elicit high-quality evidence for non-operative treatment modalities for LBP, including Cochrane Database reviews and systematic reviews or meta-analysis of randomized controlled trials. Only when these were not available for a particular treatment modality, other level 1 studies were included. The quality of evidence was categorized in accordance with the Grading of Recommendations, Assessment, Development and Evaluations (GRADE) method—a globally adopted tool for grading the quality of evidence and making treatment recommendations.

Results

The treatment modalities that were reviewed included: general measures, medications/pharmacotherapy, exercises, electromagnetic therapies, alternative treatment modalities and interventional therapies. We found that high-quality evidence is lacking for most non-operative treatment modalities for LBP. The majority of interventions have small benefits or are similar to placebo.

Conclusion

The current evidence for non-operative treatment modalities for LBP is insufficient to draw conclusions or make recommendations to clinicians. High-quality trials are required before widespread use of any treatment modality. Considering that non-operative treatment is usually the first line of therapy for most patients with LBP, it deserves to be the focus of future research in spinal disorders.
The Discovery of Bicyclopyrone
Authors: Edmunds Andrew J. F.
Published: August 2022

Two short topics were presented in the lecture titled Some Highlights of an Agro Career presented at the Fall Meeting Swiss Chemical Society, September 10th, 2021. The first of these topics discussed the discovery of the selective corn herbicide Bicyclopyrone. The second topic presented was concerned with host marking pheromones (HMPs), and described the HMP of the Mexican fruit fly anastrepha ludens, and its use in crop protection. The story concerning the host marking pheromones of the Mexican fruit fly has already been published in this journal[1] and thus this review will describe the discovery of Bicyclopyrone.
Development of the first non-hydroxamate selective HDAC6 degraders
Authors: Keuler Tim , König Beate , Bückreiß Nico , Kraft Fabian , König Philipp , Schäker-Hübner Linda , Steinebach Christian , Bendas Gerd , Gütschow Michael , Hansen Finn Kristian
Published: August 2022

The targeted degradation of histone deacetylase 6 (HDAC6) by heterobifunctional degraders constitutes a promising approach to treat HDAC6-driven diseases. Previous HDAC6 selective degraders utilised a hydroxamic acid as a zinc-binding group (ZBG) which features mutagenic and genotoxic potential. Here we report the development of a new class of selective HDAC6 degraders based on a difluoromethyl-1,3,4-oxadiazole warhead as ZBG.
Impacts of Polarizable Continuum Models on the SCF Convergence and DFT Delocalization Error of Large Molecules
Authors: Ren Fangning , Liu Fang
Published: August 2022

Advances in algorithm developments have enabled density functional theory (DFT) description of large molecules, including whole proteins, but the self-consistent field (SCF) convergence issues often hamper practical applications. The conductor-like polarizable continuum model (CPCM), although initially introduced as an implicit solvent model, was reported to improve SCF convergence in some large molecules. However, the underlying mechanisms and applicable use cases were unclear. We investigated the impacts of CPCM on the SCF convergence of 25 peptides and found that the CPCM only effectively reduced the SCF iterations for molecules with charge separations (e.g., the zwitterionic form of peptides) but had little effect on non-charge-separated molecules. We observed that CPCM increased the HOMO-LUMO gap of both the zwitterionic and non-charge-separated molecules, but only the charge-separated molecules suffered from the vanishing HOMO-LUMO gap problem in the gas phase which is the origin of the convergence issue. We revealed CPCM’s gap-opening mechanism as the selective stabilization/destabilization of molecular orbitals (MO) based on their local electrostatic environment. Compared to level-shifting, a traditional SCF improvement technique, CPCM has superior performance because the stabilization/destabilization of MOs is consistent through SCF iterations. Finally, we examined CPCM’s impacts on DFT density delocalization error (DDE) when used as an SCF accelerator. CPCM can mitigate the DDE and reproduce the density-derived properties (e.g., dipole moments) matching high-level methods when a very low dielectric constant is used but tends to over-localize the electron density at higher dielectric constants.
Enhancing the matrix-fiber interface with a surfactant leads to improved performance properties of 3D printed composite materials containing cellulose nanofibrils
Authors: Battisto Evan , Sarsfield Shea , Lele Saurabh , Williams Teague , Catchmark Jeffrey , Chmely Stephen
Published: August 2022

Cellulose nanofibrils (CNFs) exhibit characteristics that make them a desirable addition to new composite materials. CNFs are usable in a wide variety of applications such as coatings, personal and healthcare products, packaging, and advanced structural materials. They can also help overcome some performance issues with objects 3D printed by stereolithography (SLA) including dimensional instability and poor mechanical properties. However, CNFs are hydrophilic, making their dispersion in hydrophobic resins common to SLA difficult. Therefore, improvement of performance properties will not be fully realized. In this work, we treated TEMPO-oxidized CNFs (TOCNFs) with the hydrochloride salt of lauroyl arginate ethyl ester (LAE⋅HCl), a cationic surfactant, to investigate how this coating would affect the performance properties of multicomponent uncured SLA resins and subsequently printed objects. We hypothesized this coating would enhance the dispersion of the cellulose nanomaterials when compared to their uncoated counterparts, which would lead to quantifiable differences among the sample groups. We found that the viscosity of a commercial 3D printing resin (0.34 Pa·s at 30 Hz) increased by nearly an order of magnitude upon addition of even 1 wt.%. uncoated TOCNFs (2.96 Pa·s at 30 Hz). Moreover, the tensile strength (19.9(5) MPa) and modulus (0.65(5) GPa) of objects printed from the commercial resin decreased when adding 4 wt.% uncoated TOCNF (12.5(2) MPa and 0.58(8) GPa, respectively). In contrast, resins having 4 wt.% TOCNFs coated with LAE were less viscous (1.25 Pa·s at 30 Hz), and objects printed from them had enhanced tensile strength (24.7(7) MPa) and modulus (0.78(8) GPa) when compared to both the unadulterated resin and that having uncoated TOCNFs. Our findings show the general utility of using a surfactant with cellulose nanomaterials to homogenize multicomponent resins for 3D printing composite materials with enhanced performance properties.
Nadir görülen ilginç bir ektopik karaciğer olgusu
Authors: ÇAĞLAR Recep
Published: August 2022

Ektopik karaciğer; hepatik koristoma veya hepar succenturiatum olarak da bilinen ana karaciğere bağlı olmayan karaciğer dokusudur. Genellikle otopsi ve ameliyat esnasında tesadüfen saptanan nadir bir gelişimsel anomalidir. İnsidansının %0.24 ile %0.47 arasında değiştiği bildirilmiştir. En sık safra kesesinde görülmekle birlikte daha az oranda diğer organlarda da görülebilir. Karın ağrısı şikayeti ile polikliniğimize başvuran 38 yaşında kadın hastanın yapılan ultrasonografisinde multıpl kolelitiazis tespit edildi. Elektif laparoskopik kolesistektomi esnasında safra kesesi üzerinde tesadüfen saptanan ve nadir görülen ilginç bir ektopik karaciğer olgusunu sunuyoruz. Safra kesesi içerisinde ve üzerinde yer işgal eden kitlelerin ayırıcı tanısında ektopik karaciğer dokusu akılda tutulması gereken bir anomalidir. Genellikle klinik olarak sessizdir ve tesadüfen bulunur. Eğer safra kesesinde patoloji varsa safra kesesi ile beraber rezeksiyonu, safra kesesi dışında ise artmış hepatoselüler malignite riski nedeniyle cerrahi tedavi önerilmektedir.
La sobrepoblación carcelaria en el Ecuador como causa de la vulneración de los derechos humanos de las personas privadas de la libertad
Authors: Alvarado Alavardo Lisseth Fernanda , Ochoa Merino Dora Daniela
Published: August 2022

Para la realización del presente trabajo, fue necesario revisar los articulados de la Constitución de la República, el Código Orgánico Integral Penal, la Carta Americana de los Derechos Humanos, las Reglas “Nelson Mandela” de la Organización de Naciones Unidas y el informe de la CIDH respecto a las personas privadas de libertad en Ecuador. Lo que nos condujo a afirmar que en cuanto se refiere a los tratados internacionales de Derechos Humanos, estos tienen plena concordancia con la Constitución de la República y el Código Orgánico de Procedimiento Penal, y en estos cuerpos legales existen leyes que prohíben y sancionan el hacinamiento o sobrepoblación carcelaria, lo que trajo consigo la imposibilidad de la separación de bandas antagónicas. Debido a que, el Estado ecuatoriano al afectar el presupuesto dejó en control de las cárceles en manos de los internos, que como consecuencia trajo consigo un alto número de víctimas fatales ante el despido de personal técnico y guías de los Centros de Privación de Libertad, lo que implica de manera directa al Estado en las crisis carcelarias y de la vulneración de los derechos humanos de los PPL´s, ya que legal y constitucionalmente el Estado es el responsable de brindar las condiciones de dignidad humanas a los PPL´s, debiendo atender las recomendaciones contenidas en el informe de la CIDH, entre las cuales señala el abuso de la prisión preventiva, categorizada como de excepción en el COIP y una fuerte inversión para brindar condiciones de dignidad a los PPL´s.
РАЗНООБРАЗИЕ КООРДИНАЦИОННЫХ ПОЛИМЕРОВ НА ОСНОВЕ КАДМИЯ(II) И БИТИОФЕНДИКАРБОНОВОЙ КИСЛОТЫ
Authors: Дубских В.А. , Лысова А.А. , Самсоненко Д.Г. , Дороватовский П.В. , Лазаренко В.А. , Дыбцев Д.Н. , Федин В.П.
Published: August 2022

Пять новых металл-органических координационных полимеров [Cd3(btdc)3(bpa)(dmf)2] (1), [Cd3(btdc)3(dabco)(dmf)2]·3DMF·H2O (2), [Cd2(btdc)2] (3), [Cd3(btdc)3(dmf)4]·5DMF (4) и [Cd(btdc)(dmf)2]·DMF (5) (H2btdc = 2,2'-битиофен-5,5'-дикарбоновая кислота; bpa = 1,2-бис(4-пиридил)этан; dabco = 1,4-диазабицикло[2.2.2]октан; dmf, DMF = N,N-диметилформамид) были синтезированы в сольватотермальных условиях. Структуры соединений установлены с помощью монокристального рентгеноструктурного анализа. Соединение 1 охарактеризовано методами рентгенофазового, элементного, термогравиметрического анализов, а также ИК-спектроскопии.
Modified Emden Type Oscillator Equations with Exact Harmonic Solutions
Authors: Yessoufou Akim Boukola , Adjaï Kolawolé Kêgnidé Damien , Akande Jean , Delphin Marc
Published: August 2022

This paper is devoted to investigating the existence of exact harmonic solutions and limit cycles of certain modified Emden-type equations. The exact and general solutions obtained are in opposition to the predictions of classic existence theorems.
ASSESSMENT OF THE CORONAVIRUS EPIDEMIC IMPACT ON THE RUSSIAN PHARMACEUTICAL ENTERPRISES’ ECONOMIC PERFORMANCE
Authors:   Russian State University for the Humanities, Kostromin Petr A.
Published: August 2022

In the context of the COVID-19 virus global pandemic the Russian healthcare system faced important challenges. On the one hand, it is required to provide the population with all the necessary medicines, and, on the other, to support domestic pharmaceutical manufacturers in conditions when foreign manufacturers occupy a priority position in the market in value terms. Thereby hospitals and other medical and preventive institutions sharply increased procurement by tenders from Russian manufacturers since, as a rule, those infected with coronavirus were sent to hospitals. The sharp increase in morbidity and the “waves” of the pandemic created an additional burden on both the hospital system and the medicines manufacturers’ capacity, as a result of which medicines sales increased significantly, and with them, the companies’ revenue and profits. The article gives a general description of the Russian pharmaceutical mar- ket in 2020 and 2021, emphasizing its attractiveness to manufacturers, high competition level and growth prospects. Using the example of the 20 largest Russian pharmaceutical companies it shows the revenue and profit dynamics in 2020 compared to 2019. It was also noted that the demand and, as a result, sales of “anti-covid” medicines changed over 2020 and the 1st half of 2021 along a trajectory sim- ilar to the trajectory of the number of people infected with “waves” in May and October 2020, and then by July 2021. Therefore, it was hypothesized that there would be a correlation between the cases’ number and medicines’ sales of certain therapeutic groups. By “anti-covid” drugs are meant antibacterial, antiviral drugs and immunostimulants. Hence it is possible to build a regres- sion model with the help of which to predict the change in medicines’ sales depending on the epidemiological situation. According to the results of the study, it was revealed that about 50% of sales changes are explained by the morbidity dynamics in Russia. The remai-ning 50% of the changes can be explained by the fact that the considered thera- peutic groups of medicines are used to treat not only the COVID-19 virus, but also other respiratory diseases. The author draws conclusions about the main trends of the new era in the pharmaceutical industry.
DIGITAL RUBLE CONCEPT AND LIKELY IMPLEMENTATION RISKS
Authors:   Russian State University for the Humanities, Zenkina Elena V.
Published: August 2022

The article reflects an idea of the undeniable importance of money in the modern economic system. Recently, many experts, as well as governments in many countries, are increasingly talking about a new form of money, namely digital money. The relevance of the study of digital currency is provided by the novelty of the topic under consideration. The Russian economy is not quite ready for the development and implementation of such a mechanism. That is why the issue of creating, maintaining and regulating the digital ruble is very acute. The purpose of the study is to determine the essence of the digital ruble and methods of its introduction into the economy. The subject of the study is socio-economic relations, which are formed in the process of implementing the concept of a digital currency. The digital ruble should become an additional means of payment, combining usability, the promptness of processes, the au- tonomy of the digital repositories of each participant – the owner of digital money, as well as ensure safe, “clean” payments. The proposed conveyorization technology will contribute to all the above-mentioned objectives.
FEATURES OF THE RUSSIAN INNOVATION MARKET AND ITS FURTHER DEVELOPMENT BASED ON THE ENGINEERING CONCEPT
Authors:   MIREA - Russian Technological University,, Burlakov Vyacheslav V. , Kempa Viktoriya S. ,   All-Russia scientific and research institute “Center”
Published: August 2022

In the current economic situation, most developing countries strive to increase the competitiveness of their science and products at the in- ternational level through an accelerated transition to an innovative economy, which is based on new ideas, knowledge, technologies. With that process, a great importance is attained to the speed of transformation of new ideas and knowledge into a marketable product. Therefore, the issue of commercializa- tion of innovations is very relevant. It is the process of commercialization of innovations that plays an important role and determines their further devel- opment. However, at present, the issue of an innovation entering the market remains not fully resolved, which is due to both objective and subjective rea- sons. It is worth noting the insufficient development of the infrastructure of the Russian national innovation system, insufficient attention to the possible development of innovations throughout their life cycle, and little experience in the successful promotion of Russian innovations to the world market. In addition, there is widespread active opposition from competitors who are by no means interested in Russia’s entry into the global innovation market. Hence, in addition to the existing task of developing the infrastructure of the national innovation system in Russia, it is necessary to develop a mechanism and use tools that will comprehensively develop and promote Russian innovations to the world market throughout their entire life cycle. To overcome the challenges in the commercialization of innovations, the process of promoting innovative products can be improved based on the concept of engineering. With regard to the commercialization of innovations, engineering involves the construction of an effective model for bringing inno- vations to the market, which implies diversification of responsibility between all participants in order to minimize risks and ensure the maximum coincidence of supply and demand indicators.
NEW COMMUNICATION TOOLS IN BUSINESS. COMPETITIVENESS, EFFICIENCY AND IMPROVING THE EFFICIENCY OF THE COMPANY
Authors:   Interregional Audit and Control Department of the Federal Treasury, Molchanova Anastasiya A. , Kutovoi Vladimir M. ,   Diplomatic Academy of the Ministry of Foreign Affairs of the Russian Federation
Published: August 2022

The paper deals with the application of communication tools in the business sphere, as in today’s world it is becoming an integral element of the life of every single organisation. Currently, the tools of communication have shifted towards new information technologies, namely communication with customers usually takes place through social networks. Besides, in entrepre- neurship, communication acquires an obligatory characteristic feature – inter- action with the external environment, as it directly affects the promotion of one’s product or service. Every entrepreneur, in order to improve the quality of his products and increase demand, must develop an effective system of interac- tion with consumers, and it must be both one-way, namely posting information about his products, advertising, and two-way, that is, receiving feedback, direct communication with customers. And as time goes on, more and more attention is given to the professionalism of employees, since they exactly are a reflection of the organization’s activities and, accordingly, its valuableness and usefulness. Therefore, every professional must be proficient in business communica- tion skills and adhere to ethical rules when interacting both internally as well as with clients and partners. For a business, of course, external communication is a necessary element in increasing profits, but one should not forget about the internal environment of the company too. Communication between employees also affects the quality of the product and the performance of the tasks at hand. Due to recent conditions, namely the global pandemic, entrepreneurs must become more flexible and adapt to new conditions, including the use of new communication tools. It is the approach that will ensure competitiveness in the market and improve performance.
THE INTRODUCTION OF ESG STANDARDS FOR RUSSIAN COMPANIES IS THE PATH TO SUSTAINABLE DEVELOPMENT
Authors:   Diplomatic Academy of the Ministry of Foreign Affairs, Kurdova Alena P. , Kharlanov Aleksei S. ,   Diplomatic Academy of the Ministry of Foreign Affairs,, Boboshko Andrei A. ,   Saint Petersburg State University of Architecture and Civil Engineering (SPbGASU)
Published: August 2022

The article considers global issues such as the climate risk, rising regulatory pressures, and social and demographic shifts that represent new or increasing risks for investors and business development. Environmental, social and governance (ESG) themes have become a top priority in investor programs.