bluuebunny/crossref_metadata_2025 huggingface dataset:
Fast and automated identification of reactions with low barriers: the decomposition of 3-hydroperoxypropanal
Authors: Koerstz Mads , Rasmussen Maria H. , Jensen Jan H.
Published: October 2021

We show how fast semiempirical QM methods can be used to significantly decrease the computational expense for automated reaction mechanism discovery, using two different method for generating reaction products: graph-based systematic enumeration of all possible products and the meta-dynamics approach by Grimme (J. Chem. Theory. Comput. 2019, 15, 2847). We test the two approaches on the low-barrier reactions of 3-hydroperoxypropanal, which have been studied by a large variety of reaction discovery approaches and therefore provides a good benchmark. By using PM3 and GFN2-xTB for reaction energy and barrier screening the systematic approach identifies 64 reactions (out of 27,577 possible reactions) for DFT refinement, which in turn identifies the three reactions with lowest barriers plus a previously undiscovered reaction. With optimized hyperparameters meta-dynamics followed by PM3/GFN2-xTB-based screening identifies 15 reactions for DFT refinement, which in turn identifies the three reactions with lowest barrier. The number of DFT refinements can be further reduced to as little as six for both approaches by first verifying the transition states with GFN1-xTB. The main conclusion is that the semiempirical methods are accurate and fast enough to automatically identify promising candidates for DFT refinement for the low barrier reactions of 3-hydroperoxypropanal in about 15-30 minutes using relatively modest computational resources.
Laissez-Faire Public Spaces: Designing Public Spaces for Calm and Stressful Times
Authors: Hatuka Tali
Published: October 2021

Under extreme conditions, such as wars, pandemics, and climate events, the role of open space and public rituals alters dramatically. Extreme conditions remind us that daily life is fragile. What should dictate the development of public spaces? What does Covid-19 teach us about public
space, its use and future design? Should planners and designers address the unexpected when designing public spaces? These questions are the departure point for discussing the social value and design of public space during both extreme conditions and calm times.
Sustainable development and sharing economy: A bibliometric analysis
Authors: Pu Ruihui , Li Xiang , Chen Pujiayi
Published: October 2021

Sustainability promotes a feasible strategy to achieve a continuous development of the economy, society, and environment. This study aims to analyze the growing efforts on researches made by academic communities in exploring the sharing economy as a potential approach to promote sustainable development. A bibliometric approach with VOSviewer and COOC analysis was applied. A total number of 975 published articles were analyzed in this study. As a result, it was found that few studies have shed light on collaborative and sustainable consumption, climate change, and bioeconomy in the sharing economy by country, such as renewable resources and business models, circular economy in China, and life cycle assessment, particularly taking evidence from the urban mobility services in China. It was also revealed that there is a new indiscipline research trend in the field of sustainable development such as sustainable business models, game theory, blue economy, peer-to-peer accommodation, smart grids, and electric vehicles. Other trend concentrates on technological advancements and policies to promote sustainable development in the sharing economy.
FREQUENCY AND POPULATION-GENETICS ANALYSIS OF CONGENITAL ANOMALIES DISTRIBUTION IN TUZLA CANTON NEWBORNS
Authors:   Department of Biology, Faculty of Natural Sciences and Mathematics, University of Tuzla, Bosnia and Hercegovina, Avdic Aldijana , Terzic Rifet ,   Department of Biology, Faculty of Natural Sciences and Mathematics, University of Tuzla, Bosnia and Hercegovina, Hadziavdic Vesna ,   Department of Biology, Faculty of Natural Sciences and Mathematics, University of Tuzla, Bosnia and Hercegovina, Siranovic Suad ,   Department of Biology, Faculty of Natural Sciences and Mathematics, University of Tuzla, Bosnia and Hercegovina, Hodzic Snjezana ,   Department of Biology, Faculty of Natural Sciences and Mathematics, University of Tuzla, Bosnia and Hercegovina, Hercegovac Amela ,   Department of Biology, Faculty of Natural Sciences and Mathematics, University of Tuzla, Bosnia and Hercegovina, Jusic Amela ,   Department of Biology, Faculty of Natural Sciences and Mathematics, University of Tuzla, Bosnia and Hercegovina
Published: October 2021

Aim of this paper was to determine the frequency of congenital anomalies in a sample of newborns of Tuzla Canton and as well as their distribution according to gender, mother’s age and marital distance category. Research was undertaken using the retrospective analysis on the Clinic for Gynecology and Obstetrics of University Clinical Center in Tuzla. By analyzing medical documentation of 17223 newborns, we determined the frequency of congenital anomalies of 5.24%. Highest frequency of congenital anomalies was found in the newborns whose mothers are older than 35. It was found that the frequency of congenital anomalies in the observed population is within the range of variation of this parameter with data from the literature.
MEDIA REPORTING AND COMMUNICATION IN CRISIS SITUATIONS: A CASE STUDY OF A REFUGEE CRISIS IN B&H
Authors:   University ‘’Haxhi Zeka’’, Pec/Pejë, Republic of Kosovo, A. Dzogovic Suada , Miftari Vehbi ,   University ‘’Haxhi Zeka’’, Pec/Pejë, Republic of Kosovo
Published: October 2021

The topic of this article presents communication challenges and the role of the media in constructing an image of migrants and refugees as “the others” in our societies today. The article analyses the migrant situation in South-Eastern Europe, specifically in migration crisis in Bosnia and Herzegovina that has been going on since 2018. The aim is to present the basic aspects of this issue and offer answers to key questions - who are migrants and refugees, what’s their own identity, from which countries do they come, how do they cross the border, where do they go, what is the state’s attitude towards them, what forms and channels of communication the state and other stakeholders use toward them, who cares for them, what do they preserve from their national, cultural and/or language identities and how do they construct self-identity and confront with the “hosting identities”, who donates funds for migration management and how they are managed? Also, a special focus of the research will be on the human rights of migrants and refugees in Bosnia and Herzegovina, which is the subject of various discussions - both within the country itself and among various humanitarian, governmental and non-governmental international organizations in the EU and beyond.
HUMAN RESOURCES MANAGEMENT DEVELOPMENT IN MICRO AND SMALL ENTERPRISES
Authors:   Faculty of Business, Department of Business Management, University ‘’Haxhi Zeka“, Pejë, Kosovo, Beqiri Theranda , Aziri Brikend ,   Faculty of Economics, “University of Tetovo”, Tetova, Republic of North Macedonia
Published: October 2021

The HRM development takes on particular importance as it is considered to be an organizational function that promotes and creates space for creativity, innovation, speed, efficiency and effectiveness, thus transforming the workforce into a precious asset to the organization. In this research we investigate to what extent parts of modern HRM policies are mostly implemented in Micro and Small enterprises in Kosovo and how do they impact efficiency of the businesses and their workers, we have developed and implemented some questionnaires related to the important variables of this issue. Businesses should be able to provide competitive advantages in the market, successfully cope with the rapid advancement of technology, the effects of globalization, and the need to have an effective and efficient workforce to better fulfil their economic objectives. The HRM has its role in lifelong learning and development of employees, employee relations with co-workers and management, human relations, as well as motivation of employees. The development of HR practices has an impact not only on the economic development of an organization but also on the creation of positive effects on a country’s economic and social development. This paper has basically descriptive and analytical research. The overall conclusion of the paper is that the efficient management of human resources has an impact on the development of the private business sector, and is positively related with increases in the efficiency of the employees and the firm, therefore the need for human resources management in private businesses is necessary and essential.
ON THE ESSENCE AND GENESIS OF LEGAL NIHILISM AND THE POSSIBILITIES OF ITS OVERCOMING
Authors: Тетяна Миколаївна Дишкант
Published: October 2021

Problem setting. When the defining word «legal» is added to the concept of «nihilism», new meanings arise, which requires checking how correctly this phrase is used in legal sciences. To preserve statehood, it is important to understand the essence and genesis of legal nihilism.
Recent research and publications analysis. Despite the presence of attention to this important problem, both in the domestic and foreign literature devoted to the problems of law, there is still enough uncertainty in understanding the essence and causes of legal nihilism, which requires clarification and correction.
Paper objective. It is necessary to clarify the meaning of the concept of «legal nihilism» by comparing this phenomenon with various forms of manifestation and thereby concretize its essence and origins. This will allow, in turn, determining the possibilities of overcoming it.
Paper main body. The article actualizes the problem of the conceptual apparatus of legal sciences, which is associated with the vagueness and ambiguity of some concepts, including the concepts of «natural law» and «law». Ambiguity of the concept of law both as a goal and as a tool can become a source of legal conflicts. By clarifying this concept, it is possible to come to a deeper understanding of the concept of «legal nihilism», which is important for the field of law. The analysis of types of legal nihilism leads to the conclusion that it is necessary to distinguish between natural law and law, recognizing the primary role of human rights and the instrumental role of law.
Two non-mutually exclusive opportunities to avoid nihilism associated with the education of citizens of legal consciousness are considered. The first is related to the education of respect for universal human values and their acceptance. Submission to the moral law, in theory, should prevent the violation of legal boundaries in the action of the subject. In the second case, this is a pragmatic way of bringing to the attention of citizens information about the inevitability of punishment. As a result, the conviction is formed that it is more profitable to comply with laws than not to comply, especially since being in the legal field ensures stability and security.
The presence of prerequisites for the effective implementation of these opportunities in the modern world is analyzed. At the same time, modern realities were taken into account, for example, such as the processes of globalization and the factor of postmodernism.
Conclusions of the research.  The reason for legal nihilism is violations in the development and application of legislative acts associated with a complex crisis affecting the social, economic, political and legal spheres. All calls for the education of legal consciousness will be declarative in nature without eliminating the objective reasons leading to its distortion.
HYBRID WAR AS A MODERN FORM OF VIOLENCE
Authors: Володимир Вікторович Чалапко
Published: October 2021

Problem setting. One of the modern forms of violence that requires careful analysis is hybrid war. The events of recent decades have shown that hybrid war is not only a scientific concept, but also a reality today. The phenomenon of hybrid war requires a comprehensive study from both theoretical and practical points of view.
Recent research and publications analysis. The problem of hybrid wars is reflected in the scientific works of both foreign and domestic scientists. Among foreign scientists, research in this direction was carried out by R. Glenn, D. Lasik, M. McLuhan, F. Hoffman, who focused on determining the characteristics of hybrid wars in comparison with classical wars, analyzed the strategies and tactical algorithms for conducting such wars, and focused on poly-straightness and multimodality of this type of violence. On the other hand, domestic scientists, in particular V. Kravchenko, focus on the fact that hybrid war is not an absolutely new phenomenon in world history and gives a number of examples of manifestations of "hybridity" in wars of the past. In turn, M. Senchenko, analyzing hybrid war as an integral phenomenon, defines its information component as the main one which the strategy of this type of war is built around.
Paper objective. The purpose of this work is to define the essential characteristics of hybrid war as a new form of violence.
Paper main body. The understanding of the essence and content of hybrid warfare in the scientific literature is presented by a number of points of view that complement the understanding of this complex and little-studied phenomenon. As you know, the concept of "hybrid war" was introduced into scientific circulation by the American scientist M. McLuhan. Domestic scientists generally understand hybrid war as military actions that are carried out by combining militaristic, quasi-militaristic, diplomatic, informational, economic and other means in order to achieve strategic political goals. The specificity of this combination lies in the fact that each of the military and non-military methods of conducting a hybrid conflict is used for military purposes and is used as a weapon. The researchers note that hybrid warfare is not a fundamentally new type of violence, and its elements have been used by opponents in wars throughout the entire existence of mankind. "Hybridity" in this sense is understood as the complex application of various means and strategies of warfare – from information-psychological to purely military ones.
Conclusions of the research.  Thus, hybrid war as a modern form of violence is aimed primarily not at the seizure of territories, but at mastering the public consciousness of the target country and at dominating its information and cultural field. The victory on the "information and cultural front" provides further economic and political dividends for the initiator of the hybrid war.
CUBE UPCOIN: A NEW LOOK AT THE CONTROL OF THE INTRACOMMUNICATION SYSTEM IN THE ORGANIZATION
Authors: Ольга Юріївна Локоткова-Тернова
Published: October 2021

Problem setting. The problem is that at the present stage of scientific and technological progress, to ensure the sustainable integrity of social organization, there is a search for new and revision of existing approaches to the role of a person in social organization. The role of the intracommunication system is growing. It is important to determine the effectiveness of the management of the current system, which ensures effective management within the organization, satisfaction, involvement and loyalty of each employee.
Recent research and publications analysis. Intracommunication management is a complex system, the purpose of which is difficult to overestimate at each stage of an organization's development. The system is considered in the works of sociologists, psychologists, leading business trainers: T.P. Galkin, V.I. Kornienko, V. Izotov, K.V. Harsky, V.A. Shtroo, M.E. Balakshin.
Paper objective. The objective of the article  is management of the intracommunication system in the organization through the prism of a modern innovative approach, which allows to determine the effectiveness of all interrelated elements.
Paper main body. Our analysis allowed us to consider the management of intracommunications through the prism of a system, which involves the construction of a unified system for the exchange of information between the stakeholders of the organization, to determine what the exchange of information includes. What information channels exist and what role do they play in the development of social organization (communicative, organizational, informational and analytical). To improve the efficiency of each intracommunication channel, the role of each target audience was considered. We examined the role of management of the intracommunication system in the formation and development of corporate culture, the formation of an internal positive image of the organization. We have established the main reference points for the intracommunication system: the communication management system within the organization, communications and transmitted information for internal stakeholders, which is the fundamental factor of intracommunication interaction. We proposed an innovative methodological scheme for managing the intracommunication system, diagnosing its effectiveness from the standpoint of "cubic intracommunication models".
Conclusions of the research. The intracommunication system is an important and necessary condition for the development of any organization. Consideration of the management of the intracommunication system in the organization is an important topic for further research. The proposed approach to information makes it possible to consider the management processes of the intracommunication system from the position of “cubic models of intracommunication”.
EDUCATION AS A FACTOR TO SUPPORT THE NATIONAL SECURITY OF THE STATE
Authors: Panfilov Oleksandr Yuriiovych , Savchenko Olga Oleksandrivna
Published: October 2021

The article specifies the role of education in supporting the national security of the state. It is substantiated that national security significantly depends on the state of education since it takes on the most important tasks for society to train the elite of society, management personnel, and highly qualified specialists in all sectors of the economy, affects changes in the social structure of society, and forms the political views of young people. The role of education in the development of critical thinking in young people is analyzed, which is especially important in the context of information war.
MODERN POWER TRENDS IN INTERNATIONAL RELATIONS
Authors: Trebin Mikhailo , Panfilov Oleksandr
Published: October 2021

The article reveals the modern power trends in international relations. Based on the results of the analysis, the tendencies of the use of “hard”, “soft”, “smart”, and “diffuse” power in the international arena are highlighted. The conceptual content and features of the use of power in each of the indicated tendencies are revealed.
THE CONCEPT OF CIVIL SOCIETY, ITS FORMATION IN UKRAINE, FUNCTIONS AND FEATURES
Authors: Martsikhiv Khrystyna Romanivna , Horbachova Liliia Yevgenivna
Published: October 2021

The concept of «civil society» in modern political science is given. The relevance of its theoretical and practical aspects which is caused by the obvious increase the role of ordinary citizens and their voluntary associations in all spheres of human society: economic, political, social, spiritual, is analyzed. The successes of public organizations and movements of people of good will in the field of detente of international tensions, in providing assistance to peoples affected by natural disasters, catastrophes and other social unrest are widely known. It was established that the basis of victories is the development of civil society, high activity of citizens and their voluntary associations. This is achievable only in a sufficiently developed civil society. It has been proved that success comes where the business activity of citizens and the non-governmental structures they create increases, state intervention in economic, social and spiritual life is limited, where civil society develops and improves. The theoretical and applied aspects of the phenomenon of civil society are comprehended through a theoretical analysis of the concept of civil society in the history of socio-philosophical and political thought, from Plato and Aristotle to the views of modern researchers. It is emphasized that civil society is a type of social system, the hallmark of which is the real multi-subjectivity of economic, social, cultural and political life. The formation and development of civil society in Ukraine during the years of independence is analyzed. It is proved that the formation of civil society is manifested in the formation of its institutions - voluntary public associations, public movements, trade unions, independent media, public opinion as a social institution, elections and referendums as a means of public expression and protection of public-dependent interests. judicial and law enforcement systems, etc. The peculiarities of the interaction of civil society and the rights` state are substantiated.
HISTORICAL AND PHILOSOPHICAL REFLECTION OF BACKGROUND HUMAN RIGHTS IDEAS
Authors: Zhdanenko Svetlana Borisovna , Kalnytskyi Eduard Anatolievich , Meliakova Yuliia Vasil’evna
Published: October 2021

It is shown that the origins of the modern concept of human rights as the leading political and legal doctrine are in the horizon of the formation of philosophical knowledge. The ideas of the thinkers of antiquity, the Middle Ages and the New Age regarding freedom, equality, justice and human dignity, which constitute the basic principles and values of the concept of human rights, are considered. The genesis of human rights occurs in the context of the development of natural-legal thinking and the search for a balance between individual happiness and public good. It is proved that modern ideas about human rights are based on philosophical concepts, the quintessence of which was the proclamation of the autonomy and freedom of the individual.
Self-organization and evolution in dynamic friction systems
Authors: Zakovorotny Vilor L. , Gvindjiliya Valery E.
Published: October 2021

The dynamic features of the friction process of the contacting pairs affect their durability and functional suitability. There-fore, the problems of their dynamics and vibrational activity always attract the attention of researchers in the field of tribology. It is known that self-organization processes take place during friction, such as the formation of selective transfer phenom-ena during friction, formation of equilibrium roughness. But known studies do not take into account changes in the dynamic properties of the system in the process of its functioning. The primary sources of self-organization are energetic in nature, but the relationship of these phenomena with the dynamic properties of the system has not been explained, and their modeling has not yet been performed. The paper presents the results of experimental and mathematical modeling of evolutionary changes of friction system due to the power of irreversible transformations of energy input to friction zone, which characterizes the goal of research. In order to achieve the goal, the paper deals with the mathematical modeling of the processes of self-organization in a dynamic friction system in combination with the analysis of the equilibrium of the system, its stability, and the manifolds formed in the vicinity of the equilibrium. It is shown that the proposed mathematical models are integro-differential functionally coupled equations that describe self-organization. Examples are given of dynamic restructuring of the friction system, including bifurcations of the attracting sets of its deformation displacements along the trajectory of the friction forces work. The paper briefly presents the results of the experimental study of the vibration characteristics of the contacting pairs during the development of their wear by the example of two systems: steel-brass and steel-glycerin-brass. It is shown that in the system of friction, new properties always establish naturally due to the work of forces. These properties are determined by the evolutionary change of the parameters of the dynamic coupling and the attractive sets of deformation displacements. The study and experiments show that measurement of parameters available for estimation of some coordinates in the dynamic friction system allows one to solve the problem of non-decoupled dynamic monitoring of the state of friction units and also opens new ways of improvement of friction units.
Models of projects portfolio formation in construction business
Authors:   National Research University Higher School of Economics, Nechaeva Irina M.
Published: October 2021

The paper presents models and methods of projects portfolio formation in the construction business. The company’s strategy success depends on the projects which an organization includes in its portfolio to achieve strategic goals. Nowadays companies often use methods of individual project estimation and selection to include in their portfolio of projects. However, such approach does not consider the effect from an individual project on the whole portfolio financial result and the total risk as well as the specificities of the construction industry portfolio formation. There is usually a set of projects for evaluation and selection and, as a consequence, there are several potential portfolio combinations for a company to choose. Construction business is project-oriented and a correct choice of a certain project and a portfolio with the best combination of projects is a strategically important management element. Models and methods of portfolio formation and management will help to make a choice. The paper presents specific features of portfolio in the construction area which should be considered in the portfolio methodology formation. The comparative analysis of mathematical models for project evaluation and portfolio selection in the construction business was provided. The profiles of companies to implement different models were determined. The results of the research will be useful for scientists and practitioners to choose a model for application or adaption to a company’s needs.
Spreading of the semi-arid climate across South Africa
Authors: Jury Mark R.
Published: October 2021

The eastward shift of semi-arid climate across South Africa is studied using satellite assimilated cloud cover, vegetation temperature and potential evaporation 1981–2019, and 21st century coupled model projections. Semi-arid thresholds over the plateau have shifted hundreds of kilometers eastward in the Vaal River catchment for potential evaporation, cloud fraction, and vegetation temperature. Coastal cloudiness has also changed due to sea breezes modified by shelf zone sea temperatures. Processes underlying the spread of semi-arid conditions across South Africa are quantified. Desiccation is related to greater westerly airflow, as the atmospheric boundary layer over the Kalahari preferentially links with the upper-level circulation. Warm dry spells and climate change enhance the meridional temperature gradient and accelerate the sub-tropical jet at both short- and long timescales. According to observations and reanalysis, dry westerlies prevail during the afternoon and induce +0.2 °C/year trends in vegetation temperature over the Highveld during the study period. Coupled model projections show that semi-arid conditions expand eastward from Bloemhof (25.5°E) by 50,000 km2, altering future adaptation strategies.
Comparación de las competencias logísticas del gestor de la cadena de suministros en la Escuela Militar de Cadetes “General José María Córdova” y el modelo internacional APICS
Authors: Pulido Castelblanco Angela Patricia , Acosta Fonseca Juliana , Fernández García Dayhanna , Guacaneme Monroy Angie
Published: October 2021

El Ejército Nacional de Colombia requiere mejorar de forma continua su función logística para responder al constante crecimiento de sus operaciones y superar los desafíos que enfrenta en el cumplimiento de sus funciones constitucionales. Con la intención de contribuir en esta misión, el objetivo de este estudio es identificar conceptualmente las competencias de los gestores de la cadena de suministros de la Escuela Militar de Cadetes “General José María Córdova” (ESMIC). Como metodología se aplicaron técnicas de revisión y análisis documental para comparar el modelo internacional de competencias APICS (American Production and Inventory Control Society) con la formación que el programa de Administración Logística le brinda al estudiante como gestor de la cadena de suministros del Ejército Nacional de Colombia. El resultado del análisis evidencia que la ESMIC cumple con el 92,3 % del total de las competencias que propone el modelo APICS y se concluye que el porcentaje restante se puede incluir dentro de los saberes específicos que oferta el programa de Administración Logística de la institución.
Генерация второй гармоники-суммарной частоты в тонком сферическом слое. I. Аналитическое решение
Authors: Капшай В.Н. , Толкачёв А.И. , Шамына А.А.
Published: October 2021

The problem of the simultaneous second–harmonic and sum–frequency generation by two coherent plane electromagnetic waves with elliptical polarizations and equal frequencies in a thin spherical layer is solved in the Rayleigh–Gans–Debye model. The second–order dielectric susceptibility tensor is chosen in a form containing four independent components (including one chiral component). Fundamental differences are shown between the problem statements as well as between solutions to the problem of second–order nonlinear generation by several coherent electromagnetic waves and the problem of sum–frequency generation in the limiting case of equality of the frequencies of the incident waves. Combinations of parameters are determined at which the spatial distribution of the radiation generated as a result of incidence of two plane waves coincides with the distribution of second–harmonic radiation generated by one plane wave. The limiting cases of the obtained solution are considered: small and large radii of the spherical particle. In these cases the contributions of the chiral and non-chiral anisotropy coefficients to the generated radiation are determined.
Влияние лазерного разрушения на нелинейно-оптические свойства core/shell наностержней Au/SiO-=SUB=-2-=/SUB=-
Authors: Чевычелова Т.А. , Звягин А.И. , Овчинников О.В. , Смирнов М.С. , Перепелица А.С.
Published: October 2021

The mechanisms of nonlinear optical response from ensembles of gold nanorods coated with a silicon dioxide (Au / SiO2 NRs) shell are analyzed. The Z-scan method under the action of 10 ns pulses of the second harmonic of a YAG: Nd3 + laser (532 nm) was used to find dependences characteristic of nonlinear absorption and a negative dynamic lens. It is shown that the bleaching of the colloidal solution, which intensifies with increasing pulse energy, is caused by laser destruction of the Au / SiO2 NRs, which occurs due to melting, which is confirmed by theoretical estimates. Negative nonlinear refraction is attributed to the response from spherical nanoparticles (Au NPs) formed upon laser destruction of NRs.
Резонансы когерентного пленения населенностей в стеклянных ячейках с парами атомов цезия, изготовленных методом индукционной сварки
Authors: Вишняков В.И. , Макаров А.О. , Игнатович С.М.
Published: October 2021

The paper discuss the possibility of using induction welding for creation of spectroscopic cells. This approach improves the optical quality of windows, increase the repeatability of manufacture, and simplify the creation of spectroscopic cells filled with alkali metal vapor. Described technique can be used in the rapidly developing applications, such as quantum frequency standards based on coherent population trapping (CPT). The paper presents a description of the design of cells with flat windows, the results of studies of the spectroscopic properties of the obtained cells and the results of work with the obtained cells used as part of the frequency standard.
A Novel Mobile App (“CareFit”) to Support Informal Caregivers to Undertake Regular Physical Activity From Home During and Beyond COVID-19 Restrictions: Co-design and Prototype Development Study (Preprint)
Authors: Egan Kieren J , Hodgson William , Dunlop Mark D , Imperatore Gennaro , Kirk Alison , Maguire Roma
Published: October 2021

BACKGROUND

Informal caregivers, or carers (unpaid family members and friends), are instrumental to millions worldwide for the ongoing delivery of health and well-being needs. The risk of crisis points (eg, hospitalizations) for caregivers increases with the absence of physical activity. The COVID-19 pandemic is highly likely to have increased the risk of crisis points for caregivers by increasing the amount of time spent indoors due to shielding and lockdown restrictions. Thus, accessible evidence-based tools to facilitate physical activity for caregivers indoors are urgently needed.

OBJECTIVE

The aim of this study was to co-design and develop a novel mobile app to educate and support carers in the undertaking of regular physical activity at home during and beyond COVID-19 restrictions via integration of the transtheoretical model of behavior change and UK physical activity guidelines.

METHODS

We co-designed a mobile app, “CareFit,” by directly involving caregivers, health care professionals, and social care professionals in the requirements, capturing, and evaluation phases of three Agile Scrum design and development sprints. Seven participants representing multistakeholder views took part in three co-design sessions, each of which was followed by a development sprint. Requirements for CareFit were grounded in a combination of behavioral change science and UK government guidelines for physical activity.

RESULTS

Participants identified different barriers and enablers to physical activity, such as a lack of time, recognition of existing activities, and concerns regarding safely undertaking physical activity. Requirements analysis highlighted the importance of simplicity in design and a need to anchor development around the everyday needs of caregivers (eg, easy-to-use video instructions). Our final prototype app integrated guidance for undertaking physical activity at home through educational, physical activity, and communication components.

CONCLUSIONS

Integrating government guidelines with models of behavioral change into a mobile app to support the physical activity of carers is novel. We found that integrating core physical activity guidelines into a co-designed smartphone app with functionality such as a weekly planner and educational material for users is feasible. This work holds promise to fill the gap of effective physical activity solutions for caregivers both during and beyond the COVID-19 pandemic. Further work is now needed to explore the feasibility, acceptability, and usability of the approach in real-world settings.

CLINICALTRIAL
Pediatric Chronic Critical Illness: Protocol for a Scoping Review (Preprint)
Authors: Zorko David , McNally James Dayre , Rochwerg Bram , Pinto Neethi , Couban Rachel , O’Hearn Katie , Choong Karen
Published: October 2021

BACKGROUND

Improvements in the delivery of intensive care have increased survival among even the most critically ill children, thereby leading to a growing number of children with chronic complex medical conditions in the pediatric intensive care unit (PICU). Some of these children are at a significant risk of recurrent and prolonged critical illness, with higher morbidity and mortality, making them a unique population described as having chronic critical illness (CCI). To date, pediatric CCI has been understudied and lacks an accepted consensus case definition.

OBJECTIVE

This study aims to describe the protocol and methodology used to perform a scoping review that will describe how pediatric CCI has been defined in the literature, including the concept of prolonged PICU admission and the methodologies used to develop any existing definitions. It also aims to describe patient characteristics and outcomes evaluated in the included studies.

METHODS

We will search four electronic databases for studies that evaluated children admitted to any PICU identified with CCI. We will also search for studies describing prolonged PICU admission, as this concept is related to pediatric CCI. Furthermore, we will develop a hybrid crowdsourcing and machine learning (ML) methodology to complete citation screening. Screening and data abstraction will be performed by 2 reviewers independently and in duplicate. Data abstraction will include the details of population definitions, demographic and clinical characteristics of children with CCI, and evaluated outcomes.

RESULTS

The database search, crowd reviewer recruitment, and ML algorithm development began in March 2021. Citation screening and data abstraction were completed in April 2021. Final data verification is ongoing, with analysis and results anticipated to be completed by fall 2021.

CONCLUSIONS

This scoping review will describe the existing or suggested definitions of pediatric CCI and important demographic and clinical characteristics of patients to whom these definitions have been applied. This review’s results will help inform the development of a consensus case definition for pediatric CCI and set a priority agenda for future research. We will use and demonstrate the validity of crowdsourcing and ML methodologies for improving the efficiency of large scoping reviews.

CLINICALTRIAL

INTERNATIONAL REGISTERED REPORT

DERR1-10.2196/30582
INVESTIGATION OF RENEWABLE ENERGY USE IN THE P2X TECHNOLOGY
Authors: NOROUZI NIMA
Published: October 2021

Objective: The electricity-to-hydrogen technology can convert surplus renewable energy electric energy into chemical energy. Hydrogen plays an important role in transportation, power generation, and other fields. Therefore, developing electrochemical (P2X) technology for renewable energy consumption effectively solves renewable energy curtailment.
Methods: The four aspects of market scale, technical route, energy conversion efficiency, and demonstration project progress are reviewed, and the energy efficiency of the four electrochemical technologies is compared, Power consumption, marginal electricity price, equivalent output, and market share five major technical and economic indicators. To analyze the strengths, weaknesses, opportunities, and threats of P2X in China, a literature review survey was conducted, relying on recent two-decade publications from four main publishers: Scopus, Springer, Wiley, and Taylor and Francis. Keywords were selected from the first-hand references based on their impact on P2X or related topics listed in the literature databases. The keywords as Power to X, Power to chemicals, PtX, and P2X were chosen according to their actual involvement or keen interest in P2X projects.
Results: The research results based on the low-temperature electrolysis technology route show that the comprehensive energy efficiency of the electricity-to-methane and electricity-to-gasoline technologies is higher (50%); the electricity-to-gasoline technology is the most economical (marginal electricity price is 0.37 yuan/kWh), but the synthesis process requires carbon monoxide and carbon emissions, And the technical risk is high; the promotion of electricity to ammonia will have the greatest impact on the market (17.18%). Reducing coal consumption by about 22.85 million tons and the environmental protection significance of electricity-to-ammonia conversion (reducing carbon emissions by about 39.1 million tons) are two important directions for future electrochemical technology.
Conclusion: Facing the development of P2X technology in the future, the plan and economics of the high-temperature electrical and chemical technology route based on high-temperature solid oxides were preliminary discussed and prospected.
DITHIOCARBAMATE SUBSTITUTED PHENOTHIAZINE DERIVATIVES: IN SILICO EXPERIMENTS, SYNTHESIS, AND BIOLOGICAL EVALUATION
Authors: KOTHA ANUSHA , SIREESHA S. MUNI , MD ASHMA , VEMURI JYOTHI , JYOSTNA T. SARITHA
Published: October 2021

Objective: The present study was designed to study the anticancer activity of a series of novel analogs of phenothiazine with dithiocarbamate as a side chain.
Methods: A novel series of derivatives containing dithiocarbamate as a side chain at the tenth position of phenothiazine nucleus were synthesized, characterized by spectral analysis, and evaluated for their antimitotic and antioxidant activity using germinated Bengal gram seeds and 2,2-diphenyl-1-picrylhydrazyl (DPPH) method, respectively. A quantitative estimate of drug-likeness was also performed, which calculated the molecular properties and screened the molecules based on drug-likeness rules. Further, molecular docking study was performed for finding the binding affinity with tubulin protein to rationalize their anticancer activity.
Results: The results revealed that the antioxidant activity of compounds 3e, 3g, 3i, 3j and standard Ascorbic acid were 10 mmol, 14 mmol, 16 mmol, 16 mmol and 35 mmol, respectively. Further compounds 3e, 3g, 3h and 3i have shown promising antimitotic activity. Compound 3i (-9 K. Cal/mol) showed the highest binding energies towards tubulin protein when compared to standard drug colchicine (-8.6 K. Cal/mol). Among all, compound 3i showed promising antimitotic and antioxidant activity, which correlated with insilico docking studies.
Conclusion: Dithiocarbamate substituted phenothiazine derivatives proved to be encouraging leads as tubulin inhibitors.
STUDY OF EFFECT OF AYURVEDIC PHARMACEUTICAL PROCESSING NAMED SHODHANA AND MARANA ON THE CHEMICAL COMPOSITION AND CRYSTALLINE STRUCTURE OF METAL IRON AND IRON-CONTAINING MINERALS USING XRD AND XRF ANALYSIS
Authors: KULKARNI ADITI , AHMED SYED TANVEER , SAVRIKAR S. S.
Published: October 2021

Objective: This study was designed to evaluate the effect of Ayurvedic pharmaceutical procedures Shodhana and Marana on the chemical composition of the raw material.
Methods: Iron and four iron-containing minerals were subjected to Shodhana and Marana. For Shodhana, Loha (Iron), Suvarnamakshika (Copper pyrite) and Mandura (iron slag,) were repeatedly quenched sequentially in sesamin oil, buttermilk, cow’s urine, natural vinegar and herbal decoctions. Kasisa (green vitriol) was grinded in the juice of Eclipta Alba. For Marana, these materials were first grinded in prescribed liquids and then incinerated in closed earthenware caskets in measured pits. Powdered Gairika (red ochre) was roasted in Cow’s ghee for its Shodhana. Samples of Loha (iron)-L1, Samanya Shodhita Loha–L2, Vishesha Shodhita Loha–L3, Loha bahsma-L4, Mandura (iron slag)–M1, Shodhita Mandura–M2, Mandura bahsma–M3, Suvarnamakshika (copper pyrite)-S1, Shodhita Suvarnamakshika-S2, Suvarnamakshika bhasma-S3, Kasisa (green vitriol)-K1, Shodhita Kasisa-K2, Kasisa bahsma–K3, Gairika (red ochre)-G1 and Shodhita gairika-G2; were studied using XRF and XRD techniques.
Results: XRD findings suggested that the Chemical nature, elemental composition and Crystaline lattice structure of each substance were altered after extensive processings. XRF studies confirmed the multi-elemental nature of the final products. Reduction in particle size and other morphological changes were observed in intermediate and finished products during each procedure.
Conclusion: The study indicates that the composition of material is altered as a result of Ayurvedic pharmaceutical processing, ’Shodhana and Marana.
LIQUID CHROMATOGRAPHY TANDEM MASS SPECTROMETRY DETERMINATION METHOD OF BENCYCLOQUIDIUM BROMIDE: APPLICATION TO DRUG INTERACTION STUDY IN HUMAN
Authors: AGBOKPONTO JANVIER ENGELBERT , YEMOA LOCONON ACHILLE , ASSANHOU ASSOGBA GABIN , LIU RUIJUAN , GANFON HABIB , DING LI
Published: October 2021

Objective: This study was conducted to develop a sensitive and effective LC-MS/MS method for the determination of bencycloquidium bromide (BCQB) and its application in pharmacokinetic drug interaction study between BCQB and paroxetine.

Methods: The chromatographic separation was performed on Hedera ODS-2 C18 column with a mobile phase consisted of acetonitrile-10 mmol/l ammonium acetate containing 0.2% acetic acid (33:67, v/v) at 550 μl/min, and the plasma samples were processed using solid-phase extraction. The MS/MS transitions were m/z 330.2 → 142.0 for BCQB and m/z 344.2 → 156.1 for the I. S in positive ESI mode.

Results: The validated method was linear over the concentration range of 2-1200 pg/ml with the correlation coefficient r2>0.998. The intra-and inter-batch precisions of the assay were lower than 8.2% and 9.1%, respectively. The lower limit of quantification (LLOQ) was 2 pg/ml. The stability data at different storage conditions of BCQB were within±5% RE. The mean AUC0-36 of BCQB was increased by approximately 33%, after the administration of BCQB alone and upon co-administration with paroxetine during the drug interaction study.

Conclusion: The LC-MS/MS method validated in this study was robust, reproducible, accurate, precise and reliable and was successfully applied in the pharmacokinetic drug interaction studies.
Zwischenevaluierung des Förderprogramms IÖB-Toolbox
Authors:   Joanneum Research, Streicher Jürgen , Breitfuss-Loidl Marija , Ploder Michael , Buchinger Eva
Published: October 2021

Innovationsfördernde öffentliche Beschaffung (IÖB) ist ein wichtiger Eckpfeiler der nachfrageseitigen Innovationspolitik. IÖB soll dabei helfen, neue Märkte für Innovationen zu schaffen und die Nachfrage nach neuen,gesellschaftsrelevanten, innovativen Gütern und Dienstleistungen zu erhöhen. IÖB ist in Österreich seit 2007 Thema und seit 2012 mit dem beschlossenen und seit damals schrittweise umgesetzten „IÖB Leitkonzept“ politisch verankert. Ziel der Evaluierung ist es, eine Zwischenbewertung der Umsetzung des Programms IÖB-Toolbox in der ersten Phase (2019-2020) sowie der bis dato feststellbaren Beiträge zu Zielerreichung und ggf. erster Wirkungen vorzunehmen.
Things we hold dear
Authors: Pollak Williamson Catalina
Published: October 2021

This paper reflects on Common-places (2019), a project that was developed in Sheffield on the invitation of Site Gallery to participate in their ‘City of Ideas’ programme. Amidst the urban regeneration processes that are reshaping the city, this programme offered the opportunity to think about novel approaches that art and interdisciplinary practices could bring to processes of urban change. Common-places was proposed as a participatory workshop that engaged the local community, by inviting them to recognise the things they ‘hold dear’ about the areas in which they live or work. The premise was to identify forms of material and immaterial value that would reveal the ‘character’ of a place and its forms of use-value that are important to a local community. The intention was to develop a set of tools to highlight, map, commemorate and ultimately protect this intangible heritage in the context of urban regeneration in Sheffield. The project addressed some of the existing challenges of integrating an expanded notion of heritage in urban planning. Moveover, it reflects on the importance of identifying the use-value of intangible heritage and embraces a more integral and holistic approach to city planning.
Editorial
Authors: Lycouris Sophia , Panourgia Eleni-Ira , Talianni Katerina , Walker Jack
Published: October 2021

This third issue of Airea presents a second round of articles in response to our call for contributions 'Revisiting interdisciplinarity within collaborative and participatory creative practice', announced in June 2019. Following the second issue that showcased contributions from sound-related areas, the present collection focuses on the breadth of practices in art and design. The contributions in this issue surface knowledge about the way interdisciplinary methodologies and approaches influence and shape spaces and bodies within collaborative and participatory works.