bluuebunny/crossref_metadata_2025 huggingface dataset:
INTITUTIONAL ARRENGGEMENTS IN LOCAL GOVERMENT SERANG CITY THROUGHT MAPPING DISTRICT PETENTIAL BASED ON LOCAL WISDOM PRINCIPLES
Authors: Karsa Pipih Ludia , Mu’in Fatkhul
Published: May 2020

Structuring through mapping can be done at the district level which has characteristicsthat can be the same and also different, but the structuring process needs to be based onlocal wisdom in order to maintain the cultural identity and values that grow anddevelop in the midst of society. For this reason, structuring will be correlated withpotential mapping, to support regional administration in the city of Serang bymaintaining the values of local wisdom in each district. This is intended to correlate thepotential with the authority possessed by other institutions (offices) so that it will havean impact on determining the competency of the apparatus human resources in thedistrict appropriately. Based on data from the Serang City BPS in 2019, the subdistricts in Serang City, if viewed from the potential, area, population, agriculture,industry, sports and accommodation / hotel services have the same and differentpotentials. Taktakan Subdistrict has the most extensive area, namely 57.98, but for thepopulation of Serang District the highest, which is 228,563. For the agricultural sectorand the industrial sector, all sub-districts have it, while for Hotels / AccommodationServices, only the district of Cipocok Jaya and the District of Serang have this potential.As for sports facilities, the district of Cipocok Jaya and Walantaka do not have it. Onthis basis, the Regional Government of Serang City can develop, synchronize andharmonize the potential of sub-districts with the projected institutional arrangement.
Multicomponent Inverse Lomax Stress-Strength Reliability
Authors: Karam Nada S. , Yousif Shahbaa M. , Tawfeeq Bushra J.
Published: May 2020

In this article we derive two reliability mathematical expressions of two kinds of s-out of -k stress-strength model systems; and . Both stress and strength are assumed to have an Inverse Lomax distribution with unknown shape parameters and a common known scale parameter. The increase and decrease in the real values of the two reliabilities are studied according to the increase and decrease in the distribution parameters. Two estimation methods are used to estimate the distribution parameters and the reliabilities, which are Maximum Likelihood and Regression. A comparison is made between the estimators based on a simulation study by the mean squared error criteria, which revealed that the maximum likelihood estimator works the best.
Complex of Characteristic Zero in the Skew-Shape (8, 6, 3) / (u,1) where u = 1 and 2
Authors: Abd-Alridah Shaymaa N. , Hassan Haytham R.
Published: May 2020

In this work, we find the terms of the complex of characteristic zero in the case of the skew-shape (8,6, 3)/(u,1), where u = 1 and 2. We also study this complex as a diagram by using the mapping Cone and other concepts.
Minimizing the Total Completion Time and Total Earliness Time Functions for a Machine Scheduling Problem Using Local Search Methods
Authors: Ali Faez Hassan , Jawad Aseel Aboud
Published: May 2020

In this paper we investigate the use of two types of local search methods (LSM), the Simulated Annealing (SA) and Particle Swarm Optimization (PSO), to solve the problems ( ) and . The results of the two LSMs are compared with the Branch and Bound method and good heuristic methods. This work shows the good performance of SA and PSO compared with the exact and heuristic methods in terms of best solutions and CPU time.
Topological Structure of Nested Chain Abacus
Authors: Mohommed Eman F.
Published: May 2020

This paper focuses on developing a strategy to represent the -connected ominoes using an abacus. We use the idea of -connected ominoes with respect to a frame in modelling nested chain abacus. Then, we formulate and prove the unique connected partition for any -connected ominoes. Next, the topological structure of nested chain abacus is presented.
Supra Rough Membership Relations and Supra Fuzzy Digraphs on Related Topologies
Authors: Sarmad Samah , Yousif Yousif Yaqoub
Published: May 2020

The primary aim of this paper is to present two various standpoints to define generalized membership relations, and state the implication between them, in order to categorize the digraphs and assist for their gauge exactness and roughness. In addition, we define several kinds of fuzzy digraphs.
Dual of Extending Acts
Authors: Abdul Kareem Shaymaa Amer
Published: May 2020

Since 1980s, the study of the extending module in the module theory has been a major area of research interest in the ring theory and it has been studied recently by several authors, among them N.V. Dung, D.V. Huyn, P.F. Smith and R. Wisbauer. Because the act theory signifies a generalization of the module theory, the author studied in 2017 the class of extending acts which are referred to as a generalization of quasi-injective acts. The importance of the extending acts motivated us to study a dual of this concept, named the coextending act. An S-act MS is referred to as coextending act if every coclosed subact of Ms is a retract of MS where a subact AS of MS is said to be coclosed in MS if whenever the Rees factor â„ is small in the Rees factor â„then AS=BS for each subact BS of AS. Various properties of this class of acts have been examined. Characterization of this concept is intended to show the behavior of a coextending property. In addition, based on the results obtained by us, the conditions under which subacts inherit a coextending property were demonstrated. Ultimately, a part of this paper
Alleviation of cold stress in vegetable crops
Authors: Atayee Abdul Rasool , Noori Mohammad Safar
Published: May 2020

Low temperature is a major environmental factor that limits crop productivity of plants. Cold stress is a serious threat to the sustainability of crop yields. Low temperature has a huge impact on the survival and geographical distribution of plants. It negatively affects cellular components and metabolism, and temperature extremes impose stresses of variable severity that depend on the intensity and duration of the stress. Low temperature (less than minimum) leads to chlorosis, necrosis, membrane damage, changes in cytoplasm viscosity, and changes in enzyme activities leading to death of plant. Cold stress disrupts the integrity of intracellular organelles, leading to the loss of compartmentalization. It also causes reduction and impairing of photosynthesis, protein assembly and general metabolic processes. Moreover, cold stress during anthesis induces flower dropping, sterility of pollen, pollen tube distortion, ovule abortion and reduced fruit set, which leads to declined growth and lower yield. A number of approaches are being used to mitigate the deleterious effects of cold stress which threatens the successful vegetable crop production, application of plant growth regulators (salicylic acid, abscisic acid, jasmonic acid, Gibberellin and brassinosteroids) and unitization of genetics tools and plant breeding is one of the strategies to alleviate the low temperature stress in vegetable crops. Plant growth regulators play a greater role in improving the cold stress tolerance. In this paper, the effects of cold stress on vegetable growth, productivity and physiological activities were discussed, and some effective techniques for the mitigation of cold stress that help sustainable vegetable production under fluctuating climate is presented.
Analysis of the management competencies of goat farmers in some selected local government area of Lagos State Nigeria
Authors: Akintobi O.S. , Achu B.C.
Published: May 2020

This study focused on the analysis goat farmers’ management competency in ensuring sustainable production in some selected local government areas of Lagos state, Nigeria. A total of 80 goat farmers were sampled for the study with the aid of structured questionnaires which were used to collect data needed for the study. The objectives of this study were analyzed using descriptive statistics and the hypothesis was tested using binary logistic regression. The result showed that men dominated women in goat farming and that the average age of respondents was 42.4 years. It revealed that majority of the respondents (65.4%) made an annual income of 100,000-300,000 annually and had lived in the study area for 10-15 years. This study also showed that majority of the respondents practiced semi intensive system of management, used family labour (55.6%), the study further revealed that the goat farmers in the study area has low management competency with poor extension service, lack of pasture and graze land and prevalence of ectoparasite among the major challenges facing the goat farmers. It was recommended that farmers be encouraged to belong to organizations such as cooperatives to solve problems in management and government should revamp the extension service to improve service delivery to the farmers.
Drug Repositioning for COVID-19
Authors: Benavides-Cordoba Vicente
Published: May 2020

Drug repositioning is a strategy that identifies new uses of approved drugs, to treat conditions different from their original purpose. With the advance of COVID-19 and the declaration of a pandemic; It has become the closest alternative to slow the advance of the virus. Antimalarial, antiviral drugs, antibiotics, glucocorticoids, monoclonal antibodies, among others, are being studied; his findings, although preliminary, could establish a starting point in the search for a solution.
In this article, we present a selection of drugs, of different classes and with potential activity to combat COVID-19, whose trials are ongoing; and as proofs of concept, double blind, event-driven add-on, would allow proposing research that generates results in less time and preserving the quality criteria for drug development and approval by regulatory agencies.
CONTRIBUIÇÕES DAS TECNOLOGIAS DIGITAIS ASSOCIADAS À INDÚSTRIA 4.0 PARA A FORMAÇÃO PROFISSIONAL
Authors: Silva Marcio Roque Dos Santos da , Olave Maria Elena Leon
Published: May 2020

Este artigo tem por objetivo analisar como as tecnologias digitais ligadas à Indústria 4.0 podem contribuir para o aprimoramento da formação profissional, a partir da particularidade do ensino de engenharia na Universidade Federal de Sergipe (UFS). Metodologicamente, utilizou-se de um estudo de caso sob uma abordagem quanti-qualitativa, exploratória e descritiva, aplicando questionários com os docentes e discentes do Centro de Ciências Exatas e Tecnologia da UFS (CCET/UFS). Os resultados apontaram que a inserção das tecnologias digitais na formação profissional traz contribuições quanto à modernização dos sistemas de ensino, por meio da adequação dos currículos escolares e projetos pedagógicos de curso, e a estruturação de um espaço que simule o ambiente que os egressos encontrarão no mercado de trabalho, culminando no aprimoramento do processo de formação. A análise indicou ainda impactos do uso das tecnologias digitais na formação profissional, revelando que, embora os desafios envolvidos incluam fatores como a falta de investimento para a aquisição de tecnologias digitais e capacitação profissional e a falta de estrutura disponível, as tecnologias digitais podem trazer contribuições no que tange à melhoria das condições de ensino, atualização profissional e desenvolvimento de habilidades e competências essenciais ao contexto da Indústria 4.0.Palavras-chave: Tecnologias digitais e ensino. Formação profissional. Indústria 4.0.ABSTRACTThis article aims to analyze how digital technologies linked to Industry 4.0 can contribute to the improvement of professional training, based on the particularity of engineering education at the Federal University of Sergipe (UFS). Methodologically, we used a case study under a quantitative-qualitative, exploratory and descriptive approach, applying questionnaires with professors and students at the Center for Exact Sciences and Technology at UFS (CCET/UFS). The results showed that the insertion of digital technologies in professional training brings contributions regarding the modernization of teaching systems, through the adaptation of school curricula and pedagogical course projects, and the structuring of a space that simulates the environment that graduates will find in labor market, culminating in the improvement of the training process. The analysis also indicated impacts of the use of digital technologies in professional training, revealing that, although the challenges involved include factors such as the lack of investment for the acquisition of digital technologies and professional training, and the lack of available structure, digital technologies can bring contributions regarding the improvement of teaching conditions, professional updating and development of skills and competencies essential to the context of Industry 4.0.Keywords: Digital technologies and teaching. Professional qualification. Industry 4.0..
To the question on “necessary” evidence in consideration of requirements on seeking insurance reimbursement in accordance with an automobile insurance policy
Authors: Egorova Olga Aleksandrovna
Published: May 2020

This publication discusses the question on “necessary” evidence assessable by the court in consideration of requirements of the consumer of financial services to insurance company regarding the seeking reimbursement of property damages resulting from an automobile accident. The author examines the question on recognition as “necessary” evidence a decision of a financial officer made after examination of the claim of a financial service consumer on violation of insurance policy obligations by the insurer, as well as materials obtained by the financial officer in examination of such claim. The theoretical research is based on application of the following scientific methods: systemic-structural analysis, synthesis, and comparative-legal analysis. The research substantiates the position that recognition as “necessary” evidence of materials collected by the financial officer in examination of a claim of a consumer of financial services on violation of obligation by a financial organization would contribute to a proper examination of an insurance dispute, as well as meet the goals of the procedural efficiency of the judicial process, since the requirement of these materials from the financial officer by the court will exclude the need for repeated submission of these materials during a hearing.
G. R. Derzhavin at the brink of dialogism: on the material of earlier lyrics
Authors: Kiling Tatiana Viktorovna
Published: May 2020

On the background of growing interest towards the problem of dialogism of lyrics of the XIX – XX centuries, the author highlights a small number of works dedicated to research of the phenomenon of dialogism in the lyrics of the XVIII century, including the works of G. R. Derzhavin. The forms of manifestation of dialogism in the earlier lyrics of G. R. Derzhavin served as the subject of this research. The goal of this research is to determine the paths of formation of dialogical intentions in the process of establishment of authorial mentality of Derzhavin as a lyricist. The materials for this research contain triumphal odes created by Derzhavin during the 1760’s – 1770’s. The methodology is based on the problem of the author S. N. Broytman, who leans on the concept of dialogism. The structural-semantic method allows determining the dialogical structures and forms within the lyrical text. The results yielded paths of dialogization manifested in the earlier odes of Derzhavin: from mastering the communicative function of address, formed in the preceding odic tradition, to emergence of intuitively or consciously news to the genre canon odes of this period of dialogism – change in the distance between addressor and addressee, individualization of lyrical subject, emergence of speech subjects, etc., which serve as the scientific novelty of this research.
Installation discourse: key positions and concepts
Authors: Makeeva Svetlana
Published: May 2020

The subject of this research is the fundamental positions and concepts of installation discourse, i.e. key texts that are dedicated to installation and formed representation on this artistic practice. Installation discourse has emerged in the West in the early 1960’s, and presently there can be determined the “anchor points, “objective concepts”, main positions and vectors of installation analysis. Elements of the discourse include academic monographs, such as art criticism, texts of artists, and exhibition catalogues. The article employs the methods of discourse analysis of E. Laclau, C. Mouffe, N. Fairclough, as well as general discourse theory of M. Foucault described in the “Archeology of Knowledge”. The conducted discourse analysis allows making the following conclusions. The three main vectors of installation discourse can be associated with three “turns” of philosophy and humanistic thought of the XX century – phenomenological, linguistic and performative. Discourse analysis allows tracing the meanings imposed on the “anchor points” in various vectors of the discourse. Discourse analysis gives a perspective on the “objective concepts” of discourse that underlie the understanding of installation at the present stage – “theatricality”, “indermediality”, “unlocked”, anti-object character of installation, site-specificity; institutional criticism, multisensority and ephemerality.
Peer Guidance: development of Children's Wellbeing on Addicted Parents
Authors: Supriyanto Agus , Hendiani Nurlita , Wahyudi Amien , Purwadi Purwadi , Fauziah Mufied
Published: May 2020

Children are victims of parents who are undergoing drug rehabilitation programs. The factor is that parents do not accompany the education process for a specified period. Peer approaches by school counselors play a significant role in developing children's welfare in school. The goals of this study were to determine the application of peer guidelines for the development of healthy children of addicted parents. This research uses a literature study and a case study method. The data used in the study originated from the literature, as well as the primary references and interviews. Interviews conducted to parents of drug users in the large centers of drug rehabilitation. The analysis used in the descriptive study of literature method and case study method study. The findings conclude that the welfare of children from drug abuser's parents causes stress in children to influence the psychological, social, and academic dimensions. Peer guidance applications provide support for the education of children from parents who are undergoing drug rehabilitation programs and success in school. Peer skills implement openness, asking questions, and reflection, and empathy. The impact is child welfare in the psychological, social, and academic dimensions. Collaboration between addicted counselors, school counselors, parents, and guardians is needed
Shmuel N. Eisenstadt w nowej odsłonie. Wokół książki Odmiany wielu nowoczesności. Nowy projekt badawczy
Authors: Fligel Anna
Published: May 2020

Badania nad myślą Shmuela N. Eisenstadta (1923–2010), jak i te kontynuujące i rozwijające jego dziedzictwo, w tym adaptujące na szeroką skalę stworzoną przez niego teorię i metodologię nieustannie przybierają na sile i to w najrozmaitszych zakątkach świata. Fakt ten nie może dziwić, skoro rezultaty jego własnych obszernych badań, prowadzonych intensywnie przez ponad pięćdziesiąt lat, uznawane są zazwyczaj za jeden z najważniejszych i najoryginalniejszych produktów w dziedzinie socjologii, jak również filozofii cywilizacji, filozofii kultury, filozofii polityki i społeczeństwa drugiej połowy XX i początku XXI wieku. Wskazane przesłanki skłoniły mnie do napisania niniejszego tekstu, który z założenia ma być artykułem przeglądowym, tj. krytyczną prezentacją kilku istotnych wątków jednej z nowszych książek pisanych z perspektywy teorii Eisenstadta, zatytułowanej Varieties of multiple modernities. New Research Design. Książka ta stanowi krytyczną i analityczną kontynuację teorii Eisenstadta. Jest to bardzo ważny wkład w dorobek badań nad myślą Eisenstadta, zarazem znacznie przekraczający jego dziedzictwo. Autorzy, zarówno ci przeze mnie referowani, jak i pozostali, podjęli próbę stawienia czoła najbardziej aktualnym zagadnieniom i wydarzeniom otaczającego nas świata. To, czy narzędzia, jakich dostarcza Eisenstadt, pomagają w tego typu przedsięwzięciach, pozostawiam opinii czytelnika Varieties of multiple modernities. Książka, jako wynik projektu interdyscyplinarnego, stanowi bogate źródło wiedzy i może być inspiracją dla reprezentantów różnych dyscyplin.
Patriotyzm ekonomiczny – droga do wzmocnienia gospodarki czy droga donikąd?
Authors: Krzemień Robert
Published: May 2020

W polskim społeczeństwie, po okresie fascynacji zagranicą, odradzają się postawy patriotyczne. Patriotyzm ten przybiera różne formy, a jedną z nich staje się patriotyzm gospodarczy. Często sprowadza się go wyłącznie do etnocentryzmu konsumenckiego, ale musi on zyskać szerszy wymiar. Powinien dotyczyć postaw reprezentowanych nie tylko przez konsumentów, ale również przez przedsiębiorców. Nie może jednak przybierać postaci ekonomicznego szowinizmu.
Webometric as diagnostic tools of digital sociology: contents, purpose, usage experience
Authors: Kibakin M. V.
Published: May 2020

The essence of Webometrics as a sociological method of collecting primary material by studying the content of content, services and the convenience of technological solutions for accessing it by users has been revealed in the article. A justification for the need to develop digital technologies for social diagnostics using webometric indicators has been provided. Based on the analysis of scientific sources on the problem, the significant potential of Webometrics in the study of various aspects of scientific, educational, and political activities, as well as its universal character as a methodological tool have been shown.

A refined concept of Webometrics as a method of collecting primary sociological data has been given, the possibility of using it to study Internet content has been described. The rules and conditions for effective use of Webometrics have been substantiated, based on the usage of content analysis methods and procedures for the development of its forms; to include usability and visibility in the analysis of technological characteristics of Internet portals; to make the research parameters used reliable by separating them from official documents of state policy and corporate strategies; to combine traditional methods of fixing primary data and computer algorithms. A specific webometric technique has been revealed in detail, which implies fixing the formal status of the Internet source under study, the content parameters of information representation of information about the implementation of state policy on the example of working with young people, the availability of services, as well as indicators of the site’s technology and ease of access to it by the population. An example of obtaining data on the basis of Webometrics, as well as its interpretation has been given.

Based on the data obtained, an analysis of the combination of traditional and modern interactive services, which are currently presented on official websites, has been made, the shortcomings of the existing situation for effective information policy in the field of work with young people have been shown. It has been concluded about the relevance of webometric methods and the great potential for their development within the framework of digital sociology.
Social Institute of tutoring in educational rehabilitation of disabled people based on Internet technologies
Authors: Razov P. V. , Kibakina A. Yu.
Published: May 2020

The relevance of the study of the needs of using the capabilities of the Institute of tutoring in meeting the rehabilitation educational needs of disabled people in a digital society has been justified. The results of a review of sources and legal norms, which reflect various aspects of the problem have been provided, the concepts of “tutor” and “Internet technologies” in relation to the educational rehabilitation of disabled people have been clarified. The scientific and practical potential of digital sociology in the scientific and methodological support of the development of the Institute of tutoring in the system of rehabilitation of disabled people based on digital technologies and Internet resources has been substantiated.

The term of the sociological concept of “digital social inclusion of education” has been introduced, the characteristics ofits components have been given. The results of the analysis of primary sociological data obtained during the implementation of the author’s research project on the educational needs ofdisabled people in Moscow and the expert assessment of ways to improve the institutions of their educational rehabilitation have been presented. An interpretation of the significance of the category of disabled people who can successfully master higher education © The Author(s), 2020. This is an open access article under the CC BY 4.0 license (http://creativecommons.org/licenses/by/4.0/). programs, as well as participate in scientific activities has been given. Based on an expert survey with the help of rank indicators, the place of the Institute of tutoring in ensuring the effective use of Internet technologies by disabled people in training has been shown. Measures for the development of tutoring forms of support for the educational rehabilitation of disabled people among other forms – career guidance testing, programs for targeted study, involvement in research, labor market research, and presentations of University representatives to disabled people and their families have been described in detail.

The article includes a description of the necessary competencies of tutors, as well as the possibility of using Internet technologies to help people with disabilities in learning: e-learning, digital learning design, global digital educational and communication platforms, digital translators. It has been concluded that it is necessary to make more full use of the opportunities of digital sociology in promoting further institutionalization of tutoring support for educational rehabilitation of disabled people.
Aspects of choosing by applicants a secondary special or higher education institution
Authors: Akhmaeva L. G. , Eremeeva A. I.
Published: May 2020

A brief overview of the modern system of secondary special and higher education in the Russian Federation has been given. The problem of competitiveness of educational institutions in the Russian Federation and the world in General has been raised. Statistical data conducted at the end of 2019 questionnaires among the students of the Department of Advertising and Public Relations the State University of Management (Moscow) and students of the Faculty of Advertising and Internet Communications, the International College of Arts and Communications (Moscow).

The influence of several factors on the choice by learners of studying educational institutions has been explored, key factors for choice has been highlighted. The opinions of students in terms of the applicability of disciplines in their future profession, assessment of students of the faculty of the institution, the relevance of the cost of education quality and prospects for future employment in the profession after graduation have been analysed.

According to the results of the survey, answers were given to such questions as: how do applicants themselves choose an educational program – their future profession? How do they perceive the educational service provided to them by the educational institution? How do applicants who have already become students evaluate their choice of educational institution, the quality of educational service and prospects for their future employment? What is necessary for the formation of demand for educational service?

Based on the conducted sociological research, conclusions regarding the choice of educational institution by applicants have been made. The authors’ recommendations to educational institutions to attract applicants and increase their competitiveness in the market of educational services are given.
Social risks of e-learning in a digital society
Authors: Chmykhova E. V.
Published: May 2020

The concepts of the essence of social risks in the digital society, as well as their specifics in the process of e-learning have been clarified in the article materials. The importance of conducting research in this field, which is dynamically developing on the basis of digital technologies, – has been argued. The classification of scientific works in the field of studying the risks of e-learning on the basis of socio-technological, institutional and General social approaches has been given. A justification for the institutional nature of social risks of e-learning, as well as the grounds for classification by forms of manifestation, levels and sources of occurrence, as well as organizational and technological characteristics has been provided. To identify the essence of these risks, the concept of S.A. Kravchenko’s “humanistic theory of a complex society”, which has a nonlinear dynamics of development, – has been proposed. The concept of types and types of social risks in the field of this form of education has been introduced. The characteristic of risk types has been made in relation to such characteristics of modern society as the complexity of self-organization processes, the open nature and non-linearity of transformation processes.

The understanding of various types of risks has been explained, that are associated with the problems of implementing the goals of humanistic educational policy; incomplete integration of methodological tools for e-learning; the break in educational traditions; conflicts between subjects of educational relations; the lack of adaptability of digital technologies to the content of social interaction; the complexity of the nature of distance learning technologies in the modern supercomplex socio-global system; impact on the formalization of learning new types of rationality; objectively inherent in modern society’s global social risks; conflicts of social movements with the interests of the subjects realizing the functions of education; with the indivisibility of the security of complex society in different spheres and levels of social interaction. Ways to manage e-learning risks have been described.
Transmembrane Transport of copper(I) by Imidazole-Functionalised Calix[4]arenes
Authors: Renier Nathan , Reinaud Olivia , Jabin Ivan , Valkenier Hennie
Published: May 2020

Synthetic carriers for various cations and anions have been reported, but here we present the first synthetic Cu+ transporters. A series of calix[4]arenes with two imidazole groups has been developed and their bidentate linear coordination motif allows the selective extraction of Cu+ into chloroform. Transmembrane transport of Cu+ into liposomes was investigated with a newly developed assay and opens the way to the further development of Cu+ ionophores for biomedical applications.
Bond Valence Sum: A Powerful Tool for Determination of Oxidation States of Metal Ions in Coordination Compounds
Authors: Nguyen Tu
Published: May 2020

Transition metal ions in coordination compounds can adopt different oxidation states. The Bond Valence Sum (BVS) model, based solely on structural information, relates the bond lengths around a metal center to its oxidation state. This model can provide details on the oxidation states of the metal ions and serves as an additional support for the accuracy of crystal structure determination. Herein, we introduce the fundamental concept of the BVS method and summarize the empirical BVS parameters for selective metal ions that have more than one oxidation state. Applications of the method to mononuclear and polynuclear complexes will be discussed.
Asymmetric Total Synthesis of C9’-epi-Sinefungin
Authors: Decultot Ludovic , Policarpo Rocco L. , Wright Brandon , Huang Danny , Shair Matthew
Published: May 2020

The natural nucleoside (+)-sinefungin, structurally similar to cofactor S-adenosyl-L-methionine (SAM), inhibits various SAM-dependent methyltransferases (MTs). Access to sinefungin analogues could serve as the basis for the rational design of small-molecule methyltransferase inhibitors. We developed a route to the unnatural C9’ epimer of sinefungin that employed a diastereoselective Overman rearrangement to install the key C6’ amino stereocenter. The ability for late stage modification is highlighted, opening an avenue for the discovery of new MTs inhibitors.
Dynamic Interaction of Norfloxacin to Magnesium Monitored by Bacterial Outer Membrane Nanopores
Authors: Wang Jiajun , Prajapati Jigneshkumar Dahyabhai , Kleinekathöfer Ulrich , Winterhalter Mathias
Published: May 2020

The effect of divalent ions on the permeability of norfloxacin across the major outer membrane channels from E. coli (OmpF, OmpC) and E. aerogenes (Omp35, Omp36) has been investigated at the single channel level. To understand the rate limiting steps in permeation, we reconstituted single porin into planar lipid bilayers and analyzed the ion current fluctuations caused in the presence of norfloxacin. To obtain an atomistic view, we complemented the experiments with millisecond-long free energy calculations based on temperature-accelerated Brownian dynamics simulations to identify the most probable permeation pathways of the antibiotics through the respective pore. Both, experimental analysis and computational modelling, suggest that norfloxacin is able to permeate through the larger porins, i.e., OmpF, OmpC, and Omp35, whereas it only binds to the slightly narrower porin Omp36. Moreover, divalent ions can bind to negatively charged residues inside the porin, reversing the ion selectivity of the pore. In addition, the divalent ions can chelate with the fluoroquinolones and alter their physicochemical properties. The results suggest that the conjugation must break with either one of them when the antibiotics molecules bypass the lumen of the porin, with the conjugation to the antibiotic being more stable than that to the pore. In general, the permeation or binding process of fluoroquinolone in porins occurs irrespective of the presence of divalent ions, but the presences of divalent ions can vary the kinetics significantly.
Chemical Trends in the Lattice Thermal Conductivity of Li(Ni,Mn,Co)O2 (NMC) Battery Cathodes
Authors: YANG Hui , Savory Christopher , Morgan Benjamin , Scanlon David , Skelton Jonathan , Walsh Aron
Published: May 2020

While the transport of ions and electrons in conventional Li-ion battery cathodematerials is well understood, our knowledge of the phonon (heat) transport is still in itsinfancy. We present a first-principles theoretical investigation of the chemical trendsin the phonon frequency dispersion, mode lifetimes, and thermal conductivity in theseries of layered lithium transition-metal oxides Li(NixMnyCoz)O2 (x+y+z = 1). Theoxidation and spin states of the transition metal cations are found to strongly influencethe structural dynamics. Calculations of the thermal conductivity show that LiCoO2has highest average conductivity of 45.9W m−1 K−1 at T = 300 K and the largestanisotropy, followed by LiMnO2 with 8.9W m−1 K−1, and LiNiO2 with 6.0W m−1 K−1The much lower thermal conductivity of LiMnO2 and LiNiO2 is found to be due to 1–2 orders of magnitude shorter phonon lifetimes. We further model the properties of binary and ternary transition metal combinations and show that the thermal conductivity of NMC is suppressed with decreasing Co content and increasing Ni/Mncontent. The thermal conductivity of commercial NMC622 (LiNi0.6Mn0.2Co0.2O2) and NMC111 (LiNi0.33Mn0.33Co0.33O2) compositions are substantially larger than NMC811LiNi0.8Mn0.1Co0.1O2). These results serve as a guide to ongoing work on the designof multi-component battery electrodes with more effective thermal management.
Computational Screening of Phytochemicals from Medicinal plants as COVID-19 Inhibitors
Authors: Khandelwal Alisha , Sharma Tripti
Published: May 2020

In this research a dataset of plant based bioactive compound was developed. A total of 101 phytochemicals were selected, virtually designed and its binding affinity with ACE enzyme was studied by molecular docking. Human ACE related carboxypeptidase and complex (PDB ID: 1R42) and (PDB ID: 6CS2) were selected for molecular docking studies as corona virus binds to ACE2 to enter into the host cell. Docking score results revealed that almost all selected phytochemicals binds to the pocket of the human ACE protein with high binding affinity and the scores were compared with chloroquine and hydroxychloroquine. The drug likeliness and ADMET analysis of all the screened compounds were performed. Two potential compound 6-α-acetoxygedunin and echitamine exhibited optimum binding with both the receptor.These phytochemicals can serve as lead molecule for further optimization and drug development against COVID-19. Therefore, it is predicted that the insights in the present study could be regarded valuable towards development of natural inhibitor of this virus.
Portable Data Acquisition System for Nano and Ultra-Micro Scale Electrochemical Sensors
Authors: O'Riordan Alan , Seymour Ian , Murphy Aidan , O'Connell Ivan
Published: May 2020

This work describes a flexible and portable data acquisition system that has been developed to interface to nano and ultra-micro scale electrochemical sensors at the point of use. It can perform a range of voltammetric tests, including Cyclic Voltammetry, Square Wave Voltammetry and Generator Collector Voltammetery. The data acquisition system interfaces to a smartphone, operates from a rechargeable battery and is of suitable form factor to ensure that it’s fully portable. By utilising commercially available components, this system has been developed to lower the barrier for entry for the development of emerging portable electrochemical sensing technologies at micro and nano scale. To show the full range of functionality of the system, a use case involving river water quality monitoring is presented through generation of a calibration curve, using a recently developed Tyndall National Institute ultra-microband electrochemical sensor, for the detection of dissolved oxygen in river water.
Near-Infrared AIE Dots with Chemiluminescence for Deep-Tissue Imaging
Authors: LIU Chenchen , Wang Xiuxia , Liu Junkai , Yue Qiang , Lam Jacky W. Y. , Luo Liang , Tang Ben Zhong
Published: May 2020

A novel AIEgen named TBL was designed based on the classic CL emitter luminol. The NIR CL emission of TBL dots could penetrate through 3 cm-thick pork ham, which is much better than NIR fluorescence and blue CL emission. Moreover, the successful differentiation of tumor and normal tissue makes this system promising for CL-guided tumor diagnosis and surgery.
Natural Compounds from Djiboutian Medicinal Plants as Inhibitors of COVID-19 by in Silico Investigations
Authors: elmi abdirahman , sayem S. al jawad , Ahmed Mohamed , mohamed fatouma
Published: May 2020

The new coronavirus type SARS-Cov 2 (severe acute respiratory syndrome), which appeared in autumn 2019 in China, became a global pandemic in a few months. In this work, we looked for the potential anti SARS-Cov 2 of the compounds isolated from three Djiboutian medicinal plants namely Acacia seyal, Cymbopogon commutatus, and Indigofera caerulea. For this we carried out a docking with nine biomolecules, β-Sitosterol , Quercetin, Catechin, Lupeol, Rutin, Kaempferol, Gallic acid, Piperitone and Limonene on three target sites which are SARS-CoV-2 main protease (Mp), SARS-CoV-2 receptor binding domain (RBD) and human furin protease. These targets are chosen because of their role in the process of penetration of the virus into human cells and its multiplication. The phenolic compounds have a very good afinity on these three target sites with binding energies of up to -9.098 kcal/mol for rutin on SARS-CoV-2 Mp, much better than the two reference drugs hydroxychloroquine (-5.816 kcal / mol) and remdesivir (-7.194 kcal/mol). These natural compounds do not present toxicities and can be used pending In vitro and In vivo evaluations.
Allergen Immunotherapy: Tactic in manipulating food allergen induced anaphylaxis
Authors: Saritha C K  , Josni Jose  , Vidya Viswanad
Published: May 2020

The pervasiveness of food allergy and associated anaphylactic reactions are proliferating consecutively and the absence of a proper treatment adds to it. Food, both animal as well as plant derived, are presented as the major risk factors. There are several pathways deduced in favour of the food-induced anaphylaxis, ultimately leading to the activation of T-cells. One of the efficient way to solve this issue is allergen immunotherapy that involves the administration of small doses of modified allergen content and increasing the dose geometrically until tolerant level is achieved. The present treatment includes the symptomatic treatment just though a perpetual fix can be accomplished through the immunotherapy. It focus on the development of innate and adaptive immunity and further acts as a shield to prevent recurrent episodes of anaphylaxis. Specific allergen induced immunotherapy can induce a response that can benefit up to a period of 3 years even after discontinuation of the therapy.  Persistent advancement of immunology and bioengineering improves understanding diagnostics. Oral and subcutaneous routes are mostly exploited for the allergen immunotherapy. There is also a need to shed more light on the availability of a standardized allergen extract for the specific treatment of food allergy. Additional research on possible pathogenesis/ pathways and newer route of administration can lead to more safe and efficient treatment methodology.
Comparative study of various methods in the estimation of blood HbA1c and its outcome
Authors: M Sabarinathan , N Ananthi , Raj H Ashwin
Published: May 2020

Diabetes mellitus is a major health problem all over the world. Blood glucose measurement has limited value in assessing the long term glycaemic control. Estimation of HbA1c is now routinely used in clinical laboratories for long term assessment of glyceamic control. The result of different methods of HbA1C estimation has a lot of variations and hence it is essential to compare their results. This study is aimed to assess the accuracy and reliability of estimation of HbA1c levels by PEITT and Column Chromatography with ion-exchange resin by comparing it with the hba1c levels of High-performance liquid chromatography (HPLC) which is a reference method. We have included 50 patients of type 2 diabetes mellitus in our study. HbA1c was determined using BIO RAD D-10 HbA1c Analyzer, Immuno-turbidimetric assay in ERBA-Chem semi automated analyzer and Column chromatography with Ion-exchange resin method in ERBA-Chem semi automated analyzer. The results obtained from Immuno-turbidimetric assay and Ion-exchange resin methods were compared with the results of BIO RAD D-10 HbA1c Analyzer. The results obtained from Particle Enhanced Immuno-Turbidimetric Test method showed a better correlation with BIO RAD D-10 HbA1c Analyzer than Column chromatography with Ion-exchange resin (CCG-IER). Hence, Particle Enhanced Immuno-Turbidimetric Test method is more reliable and accurate and can be used as an alternative method to HPLC in clinical laboratories.
Antibiotic Prescription Pattern Among The In-Patients Of A Tertiary Care Hospital
Authors: Raj shivaani M R  , Preetha Selva
Published: May 2020

Antibiotics happen to be the most commonly used medicines, especially in developing countries like India, where infectious diseases are at a raise. Millions of antibiotics are prescribed by physicians all over India. The main objective of the present study is to analyze the prescription pattern of the antibiotics given to the in-patients of our hospital and to access the rationality of these prescriptions given, using the World Health Organization's core drug prescribing indicators. A total of 400 in- patients from Departments of Pediatrics, General Surgery, Obstetrics & Gynecology and Orthopedics were analyzed after screening for inclusion and exclusion criteria. The numbers of females are 248 (62%) and the males are 152 (38%) in a ratio of 1:1.63. 101 patients belonged to 40-60 years age group.  The pattern of antibiotic usage in the Department of Pediatrics, Obstetrics and Gynecology, General Surgery, Orthopedics was studied. The most common antibiotics prescribed were Cefotaxime (44%), Amoxicillin(38%) and  Cefazolin (38%, 24%) in Departments of Pediatrics, Obstetrics & Gynecology,  Surgery and Orthopedics respectively.   The total numbers of drugs prescribed were 1441 out of which 612 were antibiotics (43.09%). The number of antibiotics per prescription was 1.53. The average number of drugs prescribed per prescription was 3.6. The percentage of encounters with injections was 26.48%. The percentage of drugs prescribed by generic name is 36.2%. The percentage of drugs from the Essential Drug List was 92%. The percentage of fixed-dose combinations of antibiotics prescribed was 14.54%. Hence, in our study, though most of the drugs are given from the Essential List of Medicines, drugs given by a generic name is low. Physicians can be encouraged to prescribe more drugs by generic name. To conclude, antibiotic stewardship interventions have to be implemented to promote the judicious use of antibiotics to prevent adverse consequences.
Protective role of serum uric acid for bone loss in postmenopausal women
Authors: Hephzibah Kirubamani N
Published: May 2020

Researchers had found that there is an association between oxidative stress and osteoporosis. Postmenopausal osteoporosis causes major public health problems. Since Uric acid has strong antioxidant properties, it will improve bone quality. This cross-sectional observational study was done to determine the association of Uric Acid and Bone Mineral Density of 75 healthy postmenopausal women who came for a master health checkup. The mean age was 60.5 years.  After ethical clearance and informed consent, women were recruited for the study at Saveetha Medical Hospital Chennai. Women with medical conditions or who were using drugs affecting bone metabolism or uric acid were excluded. Basic investigations were Hb, serum UA, blood urea, serum creatinine, serum calcium and alkaline phosphatase, blood glucose and glycosylated Hb.  Total Cholesterol, HDL, LDL, VLDL, 25 hydroxy Vitamin D were also done. Serum UA levels were graded as <3.9, 3.9–4.9, 5–6.1, and ≥6.2  mg/dl. Bone Mineral Density (BMD) was calculated with Dual Energy X-ray Absorptiometer (DXA). Osteoporosis was defined as BMD   T-score −2.5 and below. BMD with a T-score of -1  −2.5 was classified as osteopenia (WHO).  In women with high UA, there were significantly higher levels of low-density lipoprotein, and calcium, as compared to women with low UA group (p<0.05). High UA group, as compared to the low UA group, also had lower levels of high-density lipoprotein (p<0.001). Women with higher   Uric acid levels had lower BMI, lesser years of duration of Menopause and increased BMD. Serum   UA level had a positive correlation with the Lumbar BMD T score and    Right Femoral Neck BMD T Score. In UA >5.4mg/dl group Osteoporosis was nil.