bluuebunny/crossref_metadata_2025 huggingface dataset:
Respectful Adolescent Care: A Right of Every Adolescent
Authors:   Tutor, Rufaida College of Nursing, Jamia Hamdard, Delhi, India, Kaushik Anjali
Published: March 2021

Adolescence is a crucial period in the life of every individual. The significance of adolescence and young adulthood is highlighted in relation to the crucial developmental process of preparing and transitioning to adulthood. During this period, the important developmental milestones are reached, and the young person develops a greater understanding about who they are and form their self-identity as per the Erikson. Adolescents become more independent and autonomous during this time. Adolescence is marked by changes that are not only physical but also psychological, social and emotional. Sometimes due to lack of proper knowledge and guidance, they end up having health related issues like teen pregnancy, STDs and other mental health issues like breakups etc. To tackle all these issues the health professionals should be sensitive and non-judgmental and should provide unbiased care. Adolescents have their own experiences and point of view that should be respected and taken into account. It is important to trust adolescents and their sense of responsibility. Adolescents are often reluctant to visit health facilities. It is therefore important to reach out to them by providing adolescent friendly services. It is their right also to have access to health care whenever they need it. It is essential to have trained and sensitive staff in these health centers so that young people access services in these centers in a confidential and non-judgmental manner.
Analysis of Online Purchase Decisions with Modeling Structural Equation Based on Variance
Authors: Melati Pangestu Sonny Indrajaya,
Published: March 2021

The purpose of this study is to be able to test what can influence online purchasing decisions at PT. Go Online Goals. The independent variables obtained from the preliminary survey results are Promotion, Perception of Prices, and Image for Brands. The dependent variable is the decision on the purchase. This research method for analysis using data as well as Variance-Based Structural Equations using the Partial Least Square (PLS) tool. The population is residents who live in the DKI Jakarta area with a sample size of 200 respondents. The sampling technique uses convenience sampling. By using a quantitative descriptive approach. The results showed that promotion had a positive and significant effect on purchasing decisions, perceived price also had a significant positive effect on purchasing decisions, and for brand image there was a positive and significant effect on purchasing decisions.
Przestrzeń przemysłowa Szczecinka i Lęborka w układach regionalnych województwa pomorskiego i zachodniopomorskiego
Authors: Szmielińska-Pietraszek Paulina , Szymańska Wioletta
Published: March 2021

During the years of economic transformation there have been changes in regional industrial structures, which are strictly connected with the modification of meaning and overestimation of the role of elements decisive in choosing the location of some social-economic functions. The article presents the structure’s characteristics of workers in the cities of Pomorskie and Zachodniopomorskie Voivodeships, with particular consideration of mid-cities. The sampler of differential workers’ displacements in the industrial section pointed at diverse maintenance of cities in the years 1995–2003. It was noted that 40% of entities are characterized by lower than cities-average dynamism of the increase in the workers’ participation in the industrial section. The lowest values were reached by small cities. This group includes also two largest cities of the littoral regions, i.e. Gdańsk and Szczecin, and 7 entities from the group of cities with 20–50 thousand inhabitants, located on the coast (Świnoujście and Kołobrzeg) and in the zone of influence of the Tricity agglomeration. The cities of all sizes were showing higher dynamics than the average, but especially those concentrated in the south part of the Pomorskie and Zachodniopomorskie Voivodeships. Mid-cities were characterized by three types of maintenance: increase, stagnation and decrease in the amount of workers in the industrial section, as a result of structural modification as well as the size of several work-markets, for which the liquidation or new location of one factory may implicate prominent changes in the structure of population. Therefore two cases have been elaborated in the subsequent section of the article: the first is Szczecinek, as a city with an increasing amount of workers, and the second is Lębork, where the index of industrial workers was increasing, and where during the period of time from 1995 to 2003 the number of people working in that field finally decreased.
Lokalizacja firm i zachowania przestrzenne pracowników sektora informatycznego (na przykładzie poznańskiego obszaru metropolitalnego)
Authors: Stryjakiewicz Tadeusz
Published: March 2021

In the contemporary world, areas characterised by the development of the information economy and society are of particular importance. This article has two goals: a theoretical and an empirical one. From a theoretical perspective, an attempt is made to answer the question of how the growth of the IT sector changes the traditional concepts of industrial location and regional development. The empirical part presents the preliminary results of a research carried out under the international project “Accommodating Creative Knowledge: Competitiveness of European Metropolitan Regions within the Enlarged Union” (ACRE). They show the state, dynamics and spatial structure of the analysed sector as well as the spatial behaviour of its employees in the Poznań metropolitan area. The article concludes with a distinction of two development pathways of the IT sector: catching up with the more advanced Western economies and societies, and utilising the endogenous human capital.
Przestrzenne zróżnicowanie wielkości ruchu turystycznego w Grecji
Authors: Rettinger Renata , Rozmus Małgorzata
Published: March 2021

Owing to its features, Greece is a country that can meet a whole range of tourist expectations. The country is a popular destination – the number of tourists is constantly increasing; in 2007 the number amounted to 18,754,593 visitors, over 92% of whom were Europeans. Greece is the most popular with the citizens of the Great Britain, Germany, Italy, Holland, France, and the neighbouring countries – Bulgaria, Albania and Macedonia. However, the tourism intensity is spatially differentiated. Attica and the South Aegean region, Ionian Islands and Crete enjoy the highest popularity among tourists. The regions of islands are most intensely visited, while the lowest intensity of tourism is observed in Epirus and West Macedonia. The highest tourism intensity ratio is observed in the case of the South Aegean region, and the lowest – in West Macedonia.
Post-military areas as space for business opportunities and innovation
Authors: Hercik Jan , Szczyrba Zdeněk
Published: March 2021

One of the characteristic features of the transformation processes taking place in the post-communist countries of Central Europe is the emergence of unused buildings and sites – so-called brownfields. These can be divided into several kinds, according to their original function. One of these is also the so-called military brownfield. Most of such areas were transferred, after the most necessary clean-up, to municipalities, which approached and still approach their further utilization highly individually, in connection with the character of the site as well as that of the municipality itself. Equally individual is the respective successfulness or unsuccessfulness of the revitalization of post-military areas as measured by differing indicators. The functions which revitalized former military areas have acquired are varied. One of the most common is the production function (e.g. industrial zones), residential function (housing zones), production-residential (a mix of production and housing) and production-servicing (a mix of production and services). The following contribution will first analyze demilitarization in the Czech Republic from the point of view of systemic changes in the Czech military doctrine; in the second part case studies are introduced, illustrating the transformational changes in selected settlements, caused by the loss of their military function.
Innowacyjność a konkurencyjność regionalna krajów Grupy Wyszehradzkiej w latach 1999–2008
Authors: Golejewska Anna
Published: March 2021

The paper relates to factors determining regional competitiveness in Poland, Czech Republic, Hungary and Slovakia – the new EU Member States and the Visegrad Group States. In terms of economy, there have been both similarities and wide disparities between these countries. Similarities are due to the socialist economy, which shaped their economic and social systems for several decades. Differences are caused, among others, by cultural factors underlying economic development, administrative and institutional arrangements underpinned by different legal systems, and dissimilar spatial structures. The empirical analysis focuses on innovation as a very important determinant of regional competitiveness because of its substantial impact on productivity. Data basically originate from two different sources: Eurostat Regional Statistics and OECD Regional Database. To avoid generalisations across various types of regions, and using the regional data for the years 1999–2008, I try to indicate regions defined as knowledge hubs. In those regions innovation should have stronger impact on competitiveness than in other regions. The results for the Visegrad Group show an increasing dispersion of regional GDP at NUTS 2, faster development of capital city regions and other big agglomerations, and diversity of regional innovativeness. There is a correlation between innovation indicators (R&D expenditures and patent applications to EPO) and the growth of regional GDP per capita.
Przedsiębiorstwa paneuropejskie wobec konsolidacji, fuzji i przejęć a gospodarka Polski: szansa czy wykluczenie z gry o rozwój?
Authors: Maśloch Grzegorz
Published: March 2021

Sprostanie wyzwaniom współczesności wymaga wprowadzania innowacyjności i nowychtechnik oraz metod zarządzania, a przede wszystkim zmiany struktur organizacyjnych na rzeczrozwiązań elastycznych. Wychodząc naprzeciw tym wyzwaniom UE zaproponowała paneuropejskieformy prawne prowadzenia działalności gospodarczej, których celem jest nie tylko ujednoliceniewspólnego rynku, ale także zwiększenie konkurencyjności europejskich przedsiębiorstw i pobudzenieprzedsiębiorczości wśród mieszkańców.Dlatego też celem artykułu jest omówienie roli i znaczenia paneuropejskich form prowadzenia działalnościgospodarczej dla funkcjonowania europejskich przedsiębiorstw, ich konsolidacji, fuzji i przejęć,a także wyzwań jakie stawiają one przed polską gospodarką.
Evaluation of Changes in the Branch and Educational Structure of the Labour Force in the Czech Republic with an Emphasis on Manufacturing and Services
Authors: Šerý Ondřej , Toušek Václav
Published: March 2021

This paper deals with the evaluation of changes in the labour force in the Czech Republic after 1989 and focuses on the branch and educational structure. The changes are also compared with processes in other countries of Central Europe. In the late 1980s the employment rate by sectors of the economy was different in Central European countries when compared with the situation in Western countries. Even subsequent transformation did not change the high share of industry and construction in total employment in the Czech Republic and Slovakia or a lower share of services. Within the manufacturing industry two stages can be distinguished. In the nineties, the majority of branches experienced a decrease in employment, whereas in the first decade of the 21st century stagnation or even reindustrialization occurred, especially when the branches associated with the automotive industry grew (other branches continued to decline). At the regional level, a diversification process was taking place all the time, if you like the transition from the specialization to the diversification. The importance of education is constantly increasing and the number of people with secondary education with GCE and tertiary education is growing. The relationship between the unemployment rate in districts of the Czech Republic and the share of employed people with tertiary education intensifies. The tertiary sector shows the highest level of education (in some branches of services more than onethird of employed has a tertiary education).
Analysis of Spatial Development in and Around the City of Isparta through Remote Sensing and Geographic Information Systems
Authors: Temurçin Kadir , Uluşar Gizem
Published: March 2021

Remote Sensing is a method of examination used in the study of resources on earth without any physical contact. It is a method by which the characteristics of the land below are recorded from space and sky. Determining the characteristics of natural and cultural resources of earth, sustainable exploitation of these resources in the most effective ways and continuous monitoring of the changes in these resources are fundamental to being a developed country. For a sustainable land use and urbanization, data about the unstable natural environment must be collected and monitored at regular intervals, and in order to do these, Remote Sensing (RS) and Geographical Information Systems (GIS) are employed. Images obtained through RS method can be analyzed for the accurate use of the data available. This study seeks to determine the spatial development in and around the city of Isparta through digital imaging processing techniques on different satellite images which belong to different years. Images from satellites ASTER and LANDSAT; information on the quarters in Isparta and the city plan and ERDAS IMAGINE 9.1 program were used in the study. The spatial development of the city of Isparta was studied on the basis of the satellite images obtained in the years 1987, 2000 and 2010 and this study was integrated into GIS. Having analyzed how much change occurred and which way it trended, important information was collected which will be used as source for future studies to be carried out on Isparta. It was observed that while residential areas increased, amount of forested land, and agricultural areas decreased during the periods studied.
Rola edukacji w budowaniu kapitału społecznego w Polsce
Authors: Tracz Mariola
Published: March 2021

W niniejszym opracowaniu ukazano elementy teorii kapitału społecznego w odniesieniu do rozwoju społecznego i gospodarczego oraz roli edukacji w jego budowaniu. W pierwszej części przedstawiono koncepcje podejścia do kapitału społecznego, typów kapitału i jego oddziaływania na rozwój gospodarczy. W drugiej części podjęto próbę określenia roli edukacji w rozwoju kapitału społecznego. Przedstawiono relacje pomiędzy edukacją a kapitałem społecznym na przykładzie zachodzących przemian strukturalnych i programowych w oświacie w ostatniej dekadzie w Polsce. Ponadto zwrócono uwagę na ujemne zjawiska zachodzące w edukacji, które mogą stanowić istotne ograniczenia w wypełnianiu przez szkoły zadań w budowaniu kapitału społecznego.
Proces deregulacji elektroenergetyki w Polsce na tle przemian strukturalnych tego sektora w krajach Unii Europejskiej
Authors: Luchter Lidia
Published: March 2021

Procesy transformacji ustroju w Polsce w kierunku gospodarki rynkowej, postępująca stopniowo integracja z Unią Europejską, a także włączenie naszego kraju w struktury zachodnioeuropejskiej elektroenergetyki (UCPTE, X.1995r.) wywierają istotny wpływ na kierunki i dynamikę przekształceń strukturalnych zachodzących w latach 90-tych w krajowym sektorze elektroenergetyki.
Zrównoważona konsumpcja jako atrybut i uwarunkowanie rozwoju branży turystycznej w XXI wieku
Authors: Hendel Marek , Żemła Michał
Published: March 2021

Celem artykułu jest ukazanie zrównoważonej konsumpcji jako współczesnego atrybutu i uwarunkowania rozwoju branży turystycznej. Przedstawiona w pracy koncepcja konsumpcji zrównoważonej oraz bezpośrednie odwołanie się do niej w turystyce pozwoliło autorom określić współczesne zmiany zachodzące na rynku usług turystycznych i podkreślić znaczenie troski o ochronę środowiska przyrodniczego we współczesnych wyborach konsumenta. Zdaniem autorów, ukierunkowanie konsumenta usług turystycznych na ochronę środowiska przyrodniczego wpisuje się w globalne zmiany zachowań konsumenckich, zauważalne również w innych sektorach usług. Jak podkreślają autorzy, w przypadku turystyki zmiana ta jest szczególnie ważna, bowiem powszechne uznawanie turystyki za formę działalności gospodarczej przyjaznej środowisku doprowadziło przez lata do nieodpowiedzialnego gospodarowania zasobami przyrody na rzecz jej rozwoju, a w konsekwencji do wielu nieodwracalnych zmian. Realizacja zasad zrównoważonego rozwoju w turystyce poprzez konsumpcję stanowi, w ocenie autorów, nie tylko element warunkujący rozwój turystyki, ale również istotną cechę wyróżniającą na tle innych sektorów usług. Odwołując się do pojęcia zrównoważonej konsumpcji, autorzy podkreślają również istotną rolę branży turystycznej w implementacji zrównoważonego rozwoju w turystyce.
Restrukturyzacja polskiego przemysłu zbrojeniowego
Authors: Jaworski Jakub
Published: March 2021

The article consists of three main parts. The first contains a short history and a description of the situation and potential of the Polish defence industry in years 1945–1990, and describes intensive development under USSR supervision, growing of employment, and dependency between the socialist countries’ defence industries. Signals of approaching troubles started to appear already at the end of 1980s. The main signs of incoming troubles were: overgrowth of employment, not introducing any significant new technologies, and the end of the times when the sales for almost 100% of the “S” (special) production were secured.The second part is a list of attempts at some reforms of the state-owned defence industry. The article lists trials of introducing the following restructurisation plans:– a sector study and general assumptions for the first stage of defence industry restructurisation – Proxy Ltd., 1991– a draft of reconstruction of the defence industry – Ministry of Industry and Trade, 1991/1992– a programme of consolidation and clearing of the defence industry companies of the debts – Ministry of Industry and Trade, 1993– a programme of restructurisation of the defence industry and support for technical modernisation of the Armed Forces – Council of Ministers, 1999– a strategy of the defence industry potential structural restructurisation in years 2002–2005 – Council of Ministers, 2002.This section of the article presents programmes description, goals, sources of financing, stages of realisation and the reasons why these programmes weren’t introduced. The majority of the information in this part of the article bases on the Supreme Chamber of Control report on restructurisation of the Polish defence industry.The third part contains conclusions and the discussion of what, according to the author, was a success, a failure and, most of all, what should be done in the future to make the state-owned (and not only) part of the Polish defence industry more modern and competitive on the world defence market.
Efekty restrukturyzacji górnictwa węgla kamiennego w Polsce
Authors: Tkocz Maria
Published: March 2021

This paper presents changes in the functioning of hard coal mining in Poland in the period of development of free market economy, i.e. after 1989. During this period some attempts were made to bring the coal mining to remunerativeness. Five programmes of coal mining restructuring were implemented. Their main aim was the reduction of excessive production capacities. 23 coal mains were closed down in the period 1989–2003, especially in the northern and eastern parts of the coal basin, which include the areas where coal exploitation was the longest and coal resources are located under considerably urbanised areas, often within safety pillars (Bytom, Chorzów, Gliwice, Zabrze, Będzin, Dąbrowa Górnicza, Sosnowiec). As a consequence, coal production fell from 177.4 million tonnes to 100.5 million tonnes and the employment decreased from 415.7 thousand to 135.7 thousand. An organisational structure is represented by three coal syndicates: Katowice Capital Group with 8 coal mines, Coal Campaign with 23 coal mines and Jastrzębie Coal Company with 5 coal mines.
Efekty restrukturyzacji słupskiego ośrodka przemysłowego w okresie wdrażania gospodarki rynkowej (na wybranych przykładach)
Authors: Rydz Eugeniusz , Szymańska Wioletta
Published: March 2021

Our country’s economical system’s transformation, the purpose of which is to achieve conditions adequate to market economy, brought the necessity to restructurise a vast area of communal and economic Polish domains. Industry is one of these sectors, whose transformation’s spatial results are immediately noticeable. It is due not only to change with internal economic mechanisms, but likewise to the global process of constant changing, which has firm influence on structure and spatial connections in industry. The article presents a research of spatial departments’ structure and its modification on the example of Slupsk, concentrating particularly on the period of 1995–2003. It also describes ways to exploit the property of biggest factories, which were restructurised and allowed changing their function in using Słupsk industrial area.
Associating Insulin Instillation with Negative Pressure Wound Therapy Reduces Insulin Resistance in Diabetic Patients with Infected Foot Wounds
Authors: Chen Xin-long
Published: March 2021

In this work we investigated whether a joint treatment with insulin instillation and negative pressure wound therapy (NPWT) would reduce insulin resistance (IR) in diabetic patients with infected diabetic foot ulcers (DFUs) and improve their healing. We also studied the effects of insulin+NPWT treatment on the inflammatory response coupled with wound healing. Seventy-five diabetic patients with infected DFUs were recruited and randomly divided into equal (n=25) groups treated respectively with NPWT alone, NPWT+insulin, and conventional dressings (controls). Thereafter, the ulcers’ healing progress was assessed. The serum levels of Tumor Necrosis Factor-α (TNF-α), Interleukin-2 (IL-2), and Interleukin-6 (IL-6) were measured at 1 day before and at 7, 14, and 21 days after each treatment using specific double-antibody sandwich enzyme-linked immunosorbent assays (ELISA). Serum glucose was measured via a glucose-oxidase method, and serum insulin via radioimmunoassay. In each patient, IR was appraised via the Homeostasis Model Assessment (HOMA-IR) and the quantitative insulin sensitivity check index (QUICKI). Our results showed that at 7, 14 and 21 days post-treatment, with respect to the control group the two NPWT-treated groups had (i) significantly (p < 0.05) lower serum levels of TNF-α, IL-2 and IL-6; (ii) a significantly (p < 0.01) greater reduction in IR; and (iii) significantly (p < 0.05) higher wound healing rates. Moreover, at 14- and 21-days post-treatment, the NPWT+insulin-treated group had a significantly (p < 0.05) higher wound healing rate than the NPWT alone-treated group. In conclusion, the combined NPWT+insulin instillation treatment gave superior results by improving wound healing, decreasing inflammation at the wounds surface, and reducing IR in diabetic patients with infected DFUs.
Tratados bilaterales de inversión y derechos humanos: tres posiciones desde América Latina
Authors:   Universidad de La Laguna (España), Erice Aranda Lucas Sebastián de
Published: March 2021

The purpose of this article is to analyze the way in which the signing of new bilateral investment treaties can become a self-imposed limitation by the States to their ability to comply with their human rights obligations. Therefore, the main characteristics of these agreements will be analyzed, as well as the main points of collision with the International Human Rights Law. Likewise, the possible courses of action that the States have at their disposal to try to resolve that tension will be studied, through the example of three Latin American countries: Mexico, Ecuador and Brazil.
BIIB093 (intravenous glibenclamide) for the prevention of severe cerebral edema
Authors: Griepp Daniel W. , Lee Jason , Moawad Christina M. , Davati Cyrus , Runnels Juliana , Fiani Brian
Published: March 2021

Background:

Vasogenic edema in the setting of acute ischemic stroke can be attributed to the opening of transient receptor potential 4 channels, which are expressed in the setting of injury and regulated by sulfonylurea receptor 1 (SUR1) proteins. Glibenclamide, also known as glyburide, RP-1127, Cirara, and BIIB093, is a second-generation sulfonylurea that binds SUR1 at potassium channels and may significantly reduce cerebral edema following stroke, as evidenced by recent clinical trials. This review provides a comprehensive analysis of clinical considerations of glibenclamide use and current patient outcomes when administered in the setting of acute ischemic stroke to reduce severe edema.

Methods:

National databases (MEDLINE, EMBASE, Cochrane, and Google scholar databases) were searched to identify studies that reported on the clinical outcomes of glibenclamide administered immediately following acute ischemic stroke.

Results:

The pharmacological mechanism of glibenclamide was reviewed in depth as well as the known indications and contraindications to receiving treatment. Eight studies were identified as having meaningful clinical outcome data, finding statistically significant differences in glibenclamide treatment groups ranging from matrix metalloproteinase-9 serum levels, midline shift, modified Rankin Scores, National Institute of Health Stroke Score, and mortality endpoints.

Conclusion:

Studies analyzing the GAMES-Pilot and GAMES-PR trials suggest that glibenclamide has a moderate, however, measurable effect on intermediate biomarkers and clinical endpoints. Meaningful conclusions are limited by the small sample size of patients studied.
Decomposition and gluing for adiabatic quantum optimization
Authors: McCurdy Micah Blake , Egger Jeffrey , Kyriakidis Jordan
Published: March 2021

Farhi and others~\cite{Farhi} have introduced the notion of solving NP problems using adiabatic quantum computers. We discuss an application of this idea to the problem of integer factorization, together with a technique we call \emph{gluing} which can be used to build adiabatic models of interesting problems. Although adiabatic quantum computers already exist, they are likely to be too small to directly tackle problems of interesting practical sizes for the foreseeable future. Therefore, we discuss techniques for decomposition of large problems, which permits us to fully exploit such hardware as may be available. Numerical results suggest that even simple decomposition techniques may yield acceptable results with subexponential overhead, independent of the performance of the underlying device.
Global convergence of diluted iterations in maximum-likelihood quantum tomography
Authors: Goncalves Doglas S. , Gomes-Ruggiero Marcia A. , Lavor Carlile
Published: March 2021

In this paper we address convergence issues of the Diluted $R \rho R$ algorithm \cite{rehacek2007}, used to obtain the maximum likelihood estimate for the density matrix in quantum state tomography. We give a new interpretation to the diluted $R \rho R$ iterations that allows us to prove the global convergence under weaker assumptions. Thus, we propose a new algorithm which is globally convergent and suitable for practical implementation.
Hardness of classically simulating quantum circuits with unbounded Toffoli and fan-out gates
Authors: Takahashi Yasuhiro , Yamazaki Takeshi , Tanaka Kazuyuki
Published: March 2021

We study the classical simulatability of constant-depth polynomial-size quantum circuits followed by only one single-qubit measurement, where the circuits consist of universal gates on at most two qubits and additional gates on an unbounded number of qubits. First, we consider unbounded Toffoli gates as additional gates and deal with the weak simulation, i.e., sampling the output probability distribution. We show that there exists a constant-depth quantum circuit with only one unbounded Toffoli gate that is not weakly simulatable, unless $\bqp \subseteq \postbpp \cap \am$. Then, we consider unbounded fan-out gates as additional gates and deal with the strong simulation, i.e., computing the output probability. We show that there exists a constant-depth quantum circuit with only two unbounded fan-out gates that is not strongly simulatable, unless $\p = \pp$. These results are in contrast to the fact that any constant-depth quantum circuit without additional gates on an unbounded number of qubits is strongly and weakly simulatable.
ANALYSIS OF THE ECONOMIC SITUATION IN WESTERN EUROPE
Authors: Rubaeva L. M. , Datieva A. A.
Published: March 2021

The article considers the issue of achieving the most stable socio-economic situation in the countries of Western Europe. The paper highlights socio-economic factors that characterize states with a developed economic system. The authors make a comparative analysis of the macroeconomic indicators of countries with a developed socio-economic situation: Germany, France and the United Kingdom. The study notes the relationship between the sectors of the economy that have allowed developed countries to achieve the greatest results at present time. Based on the study, the authors identify the main provisions that stimulate the economic and social development of the considered states.
A NEW APPROACH TO THE FORMATION OF THE LIST OF SYSTEM-FORMING ORGANIZATIONS
Authors: Bydtaeva E. E.
Published: March 2021

At emergence of crisis conditions rendering state support to the organizations, which products or services are important for functioning of national economy or a single region in the current period and in terms of strategic development, assumes formation of the list of the systemically important organizations. Different techniques of formation of such lists, the indistinct and extremely simplified criteria and estimated indicators ignoring branch specifics are used at the level of both country, and certain regions, therefore the formed lists do not answer the stated purpose – identification of the organizations, significant for the economic system. At present, the problem remains unresolved in theoretical and applied aspects. For its decision the author offers a new approach to the formation of the list of the systemically important organizations – proceeding from conditionality of inclusion of the organization in the list by the importance of this organization for this system measured by a contribution of the organization to multicriteria assessment of the system’s condition. The basis of the offered approach is the consideration of the economic system as a structure, the development of which is aimed at improving its inherent system parameters.
THE MAIN PREREQUISITES FOR THE IMPLEMENTATION OF THE WORKFORCE MANAGEMENT SYSTEM TO OPTIMIZE STAFF WORKING HOURS
Authors: Degtyareva V. V. , Gureev P. M. , Trubkin D. A.
Published: March 2021

The purpose of the article is to study the principles of managing staff working time to reduce costs and increase efficiency, optimize labor processes, manage and predict the workload of staff, and implement methods and tools to improve efficiency. The article describes the main prerequisites for the implementation of the Workforce Management system (WFM), which is a methodology for planning employees’ working hours, which is a component of the personnel management concept. As a metric for evaluating the effect of using WFM systems, the planned or actual number of employees` hours per month is used – a comparison of the planned schedules before and after using the system is made. The effect of implementing WFM is as follows: increased staff efficiency, improved service level, revenue growth as a result of lower costs and more competent traffic coverage, increased staff involvement and saving management time.
ANTI-CRISIS FACTORS OF COMPETITIVENESS OF SERVICE SECTOR ENTERPRISES
Authors: Troyan I. A.
Published: March 2021

The transformation of the socio-economic conditions of the functioning of service enterprises caused by the spread of the COVID-19 pandemic and the resulting economic crisis, actualize the study of the possibilities of ensuring their competitiveness. The article gives the analysis of the genesis and development of the content of the category of enterprise competitiveness in the basic concepts of economic theory. The author proposes a definition of the competitiveness of a service enterprise. The paper analyses traditional basic factors of enterprise competitiveness as well as substantiates the anti-crisis factors of maintaining the competitive maintenance of a service sector enterprise in the context of the current economic crisis related to the COVID-19 pandemic, such as: digitalization of business and the process of providing services, customer focus, virtualization of the workforce, cybersecurity, and the use of opportunities of the state anti-crisis policy.
STATISTICAL ANALYSIS OF OVERHAUL OF APARTMENT BUILDINGS THAT INCREASE THE ENERGY EFFICIENCY OF BUILDINGS
Authors: Davletshina L. A. , Bezrukov A. V.
Published: March 2021

The subject of the study is major repairs of an apartment building. The authors analyse the concepts of “capital repairs of an apartment building” and “energy efficient repair”, explore the normative and methodical base. Based on the presented statistical data on the state of the apartment buildings, the paper proposes an original system of indicators for evaluating energy-efficient capital repairs. The assessment of the population by the degree of satisfaction with housing conditions is characterized by the data of a sample survey. The article uses data on the results of the implementation of regional programs of energy-efficient capital repairs in pilot regions, compares approaches to energy-efficient repairs, identifies similar parameters and regional features.
THE VIEW OF FOREIGN ANALYSTS ON THE REFORM OF THE SOVIET PLANNING SYSTEM OF THE 80S OF THE XX CENTURY
Authors: Nazarenko M. B.
Published: March 2021

The article сonsiders the assessments of attempts to improve the economic mechanism of the USSR in the late 1970s - first half of the 1980s, which are contained in the works of foreign analysts. The paper pays particular attention to their analysis of the effectiveness of the reform of the economic mechanism in 1979, as well as the brigade and collective contracts introduced in the USSR in the early 1980s, and the economic experiment of 1984. The author gives both positive and negative assessments of these transformations in the Soviet economy, notes their strengths and weaknesses. The paper shows that the estimates and data contained in foreign studies allow us correlate the modern interpretation of the economic system in the USSR of the late socialist period.
Computer-Aided Drug Designing of Ocimum Basilicum Compounds as Therapeutic Agents Against RdRp of SARS-CoV2
Authors: Shafiq Mehwish , Saif Rashid , Ali Laraib , Ahmad Tuba , Sohail Anood
Published: March 2021

The prevailing situation of the world is challenging due to COVID-19 pandemic that is caused by SARS-CoV2. To combat with this emerging pandemic by reducing disease severity and infection, the need of hour is to develop an effective vaccine and antiviral candidates as therapeutic agents against SARS-CoV2. This study was developed for the identification of potential anti-viral agents, from Ocimum basilicum against RdRp of SARS-CoV2. In this concern, nevadensin, ursolic acid, β-Sesquiphellandren, apigenin, nerolidol, nonyl acetate and geranyl acetate were screened out of fifty-seven compounds from Ocimum basilicum based on their best docking scores. The docking results were also compared with already clinically used drugs (Remdesivir and Ribavirin) against RdRp of SARS-CoV2. Molecular docking was performed using MOE software. The ADMET analysis and drug likeliness were also performed for all screened compounds by using admetSAR, pkCSM and SwissADME. Cumulatively, the optimum binding energies of screened compounds indicated their potential for drug development against SARS-CoV2. It appears promising that nevadensin exhibited a good docking score and high binding affinity towards RdRp of SARS-CoV2. Therefore, it may represent the potential to inhibit COVID-19. Hence, Ocimum basilicum nutraceuticals could be effective therapeutic candidates for the treatment and prevention of COVID-19.
EISA-MRM: Multiple Reaction Monitoring with Single Quadrupole Mass Spectrometry
Authors: Xue Jingchuan , Derks Rico J.E. , Wwebb William , Aisporna Aries , Giera Martin , Siuzdak Gary
Published: March 2021

Enhanced in-source fragmentation annotation combined with single quadrupole multiple reaction monitoring (EISA-MRM) has been designed for quantitative mass spectrometry analysis. EISA contrasts to traditional electrospray as a soft ionization technology and is proving to be advantageous since the resulting fragment ions are identical as those generated in tandem mass spectrometry. Criteria established by the European Union Commission Directive 2002/657/EC for electron ionization single quadrupole quantitative analysis was used for the EISA-MRM quantitative analyses and experiments were performed on multiple types of complex samples that included a mixture of 50 standards, as well as cell and plasma extracts. The dynamic range for quantitative analysis was comparable to QqQ-MRM analyses at up to 5 orders of magnitude and the EISA-MRM and QqQ-MRM of the cell and plasma extracts showed similar matrix effects. Amino acid and fatty acid measurements performed from certified NIST 1950 plasma with isotopically labelled standards demonstrated EISA-MRM accuracy in the range of 91-110% for the amino acids, 76-129% for the fatty acids, and precision with a CV < 10%. In order to enhance specificity and sensitivity, a newly developed Correlated SIM Chromatogram (CSC) algorithm was designed to facilitate MRM quality analyses. The EISA-MRM quantitative analysis with CSC informatics enables both precursor and in-source fragment ions to be correlated within a single quadrupole mass spectrometer.
Selective Ring Opening Allene Metathesis: Polymerization or Ruthenium Vinylidene Formation
Authors: Neary William , Sun Yunyan , Moore Jeffrey S.
Published: March 2021

Selective ring-opening allene metathesis polymerization (ROAlMP) and ruthenium vinylidene formation from 1,2-cyclononadiene (1) by simple catalyst selection are discussed. Grubbs second generation catalyst (G2) favors the formation of an alkylidene leading to the ROAlMP of (1). Grubbs first generation catalyst (G1) favors vinylidene formation and prevents the homopolymerization of (1) even at elevated temperatures. Isolation and characterization of poly(1) by NMR analysis and MALDI-TOF confirms the generation of a well-defined polyallene that exhibits good thermal stability (TD ca. 400 ºC) and fluorescent properties. Ring-opening metathesis polymerization (ROMP) of a high strained norbornene derivative (NBE-iPr) at 80 ºC using the ruthenium vinylidene generated from (1) is also investigated. The discovery of ROAlMP allows for the simple accesses of well-defined polyallenes from commercially available catalysts and will ultimately guide structure-property determinations of polyallenes.
Dielectric Screening Modulates Semicondcutor Nanoplatelet Excitons
Authors: Shin Ashley , Hossain Azmain A. , Tenney Stephanie M. , Tan Xuanheng , Tan Lauren A. , Foley Jonathan , Atallah Timothy L. , Caram Justin
Published: March 2021

The influence of external dielectric environments is well understood for 2D semiconductor materials but is overlooked for colloidally-grown II-VI nanoplatelets (NPLs). In this work, we synthesize MX (M=Cd, Hg; X= Se, Te) NPLs of varying thicknesses, and apply a modified Elliott model to fit excitonic absorption features and report exciton binding energies for cadmium telluride and mercury chalcogenides for the first time. Our observations indicate that the exciton binding energy is modulated by the dielectric screening of semiconductor material by the external ligand environment. Furthermore, NPL binding energies show a dependence on the number of monolayers consistent with relative effect of internal vs. external dielectric. To describe this, we derive an analytical electrostatic model, reinforcing the hypothesis that the external environment increases the exciton binding energy relative to the bulk—due to the distortion of the Coulombic potential across the NPL surface. We further confirm this effect by decreasing and recovering the exciton binding energy of HgTe NPLs through washing in polarizable solvents. Our results illustrate that NPLs are colloidal analogues of Van der Waals 2D semiconductors and point to surface modification as an approach to control photophysics and device properties.
Development of Range-Corrected Deep Learning Potentials for Fast, Accurate Quantum Mechanical/molecular Mechanical Simulations of Chemical Reactions in Solution
Authors: Zeng Jinzhe , Giese Timothy J , Ekesan Şölen , York Darrin M.
Published: March 2021

We develop a new Deep Potential - Range Correction (DPRc) machine learning potential for combined quantum mechanical/molecular mechanical (QM/MM) simulations of chemical reactions in the condensed phase. The new range correction enables short-ranged QM/MM interactions to be tuned for higher accuracy, and the correction smoothly vanishes within a specified cutoff. We further develop an active learning procedure for robust neural network training. We test the DPRc model and training procedure against a series of 6 non-enzymatic phosphoryl transfer reactions in solution that are important in mechanistic studies of RNA-cleaving enzymes. Specifically, we apply DPRc corrections to a base QM model and test its ability to reproduce free energy profiles generated from a target QM model. We perform comparisons using the MNDO/d and DFTB2 semiempirical models because they produce free energy profiles which differ significantly from each other, thereby providing us a rigorous stress test for the DPRc model and training procedure. The comparisons show that accurate reproduction of the free energy profiles requires correction of the QM/MM interactions out to 6 Å. We further find that the model's initial training benefits from generating data from temperature replica exchange simulations and including high-temperature configurations into the fitting procedure so the resulting models are trained to properly avoid high-energy regions. A single DPRc model was trained to reproduce 4 different reactions and yielded good agreement with the free energy profiles made from the target QM/MM simulations. The DPRc model was further demonstrated to be transferable to 2D free energy surfaces and 1D free energy profiles that were not explicitly considered in the training. Examination of the computational performance of the DPRc model showed that it was fairly slow when run on CPUs, but was sped up almost 100-fold when using an NVIDIA V100 GPUs, resulting in almost negligible overhead. The new DPRc model and training procedure provide a potentially powerful new tool for the creation of next-generation QM/MM potentials for a wide spectrum of free energy applications ranging from drug discovery to enzyme design.
Deep Learning Combined with IAST to Screen Thermodynamically Feasible MOFs for Adsorption-Based Separation of Multiple Binary Mixtures
Authors: Anderson Ryther , Gómez-Gualdrón Diego
Published: March 2021

This study demonstrates the coupling of a multipurpose multilayer perceptron (MLP) model that predicts single-component adsorption for a various molecules with ideal adsorption solution theory (IAST). The resulting computational framework predicts MOF separations properties for various binary mixtures at various compositions and pressures. The accuracy of the MLP+IAST framework was sufficiently high so that, for a given separation, MOFs in the 90th percentile from MLP+IAST-based screening contain ~87% of MOFs in the 95th percentile one would obtain from molecular simulation-based screening. Clustering algorithms were shown effective to identify so-called "privileged" MOFs that were high-performing for multiple separations. Free energy calculations were performed to determine privileged MOFs that were likely to be accesses synthetically, at least from a thermodynamic perspective.
Imido Cobalt Complexes with Imidyl Character
Authors: Reckziegel alexander , Kour Manjinder , Battistella Beatrice , Mebs Stefan , Beuthert Katrin , Berger Robert , Werncke Gunnar
Published: March 2021

We report on the synthesis of a variety of trigonal imido cobalt complexes [Co(NAryl)L2)–, (L = N(Dipp)SiMe3), Dipp = 2,6-diisopropylphenyl) bearing very long Co–NAryl bonds of around 1.75 Å. The electronic structure was interrogated using a variety of physical and spectroscopic methods indicating the first authenticated examples of cobalt bound imidyl species. Computational studies corroborate these findings and reveal that the high-spin state of these complexes gives rise to unpaired spin-density on the imide nitrogen and leads to its imidyl character. Obtained complexes are capable of intermolecular H atom abstraction from C–H bonds that yields the corresponding cobalt amides. Exchange of the Dipp-substituent on the imide by the smaller mesityl function (2,4,6-trimethylphenyl) effectuates the unexpected Me3Si shift from the ancillary ligand set to the imide nitrogen, followed by intramolecular C–H bond activation.
Accelerating the Discovery of the Beyond Rule of Five Compounds That Have High Affinities Toward SARS-CoV-2 Spike RBD
Authors: Abu-Saleh Abd Al-Aziz , Yadav Arpita , Poirier Raymond A.
Published: March 2021

The battle against SARS-CoV-2 coronavirus is the focal point for the global pandemic that has affected millions of lives worldwide. The need for effective and selective therapeutics for the treatment of the disease caused by SARS-CoV-2 is critical. Herein, we performed computational de novo design incorporating molecular docking studies, molecular dynamics simulations, absolute binding energy calculations, and steered molecular dynamics simulations for the discovery of potential compounds with high affinity towards SARS-CoV-2 spike RBD. By leveraging ZINC15 database, a total of 1282 in-clinical and FDA approved drugs were filtered out from nearly 0.5 million protomers of relatively large compounds (MW > 500, and LogP ≤ 5). Our results depict plausible mechanistic aspects related to the blockage of SARS-CoV-2 spike RBD by the top hits discovered. We found that the most promising candidates, namely, ZINC95628821, ZINC95617623, and ZINC261494658, strongly bind to the spike RBD and interfere with the human ACE2 receptor. These findings accelerate the rational design of selective inhibitors targeting the spike RBD protein of SARS-CoV-2.