bluuebunny/crossref_metadata_2025_split huggingface dataset:
Interactions mechanism of commonly used drugs for the treatment of Covid-19
Authors: Celik S. , D. Demirag A. , E. Ozel A. , Akyuz S. 
Published: January 2021

In this study conformation analysis of seven drugs commonly used in the treatment of COVID-19 was performed. The most stable conformers of the drug molecules were used as initial data for docking analysis. Using the Cavityplus program, the probable most active binding sites of both apo and holo forms of COVID-19 main protease enzyme (Mpro) and spike glycoprotein of SARSCoV-2 receptors were determined. The interaction mechanisms of the 7 FDA approved drugs (arbidol, colchicine, dexamethasone, favipiravir, galidesivir, hydroxychloroquine, remdesivir) were examined using the AutoDock Vina program. The six of the seven drugs were found to be more stable in binding to apo form of COVID-19 Mpro and spike glycoprotein. Moreover, a set of molecular mechanics (MM) Poisson-Boltzmann (PB) surface area (SA) calculations on the investigated drugs-protein systems were performed and the estimated binding free energy of remdesivir and the apo form of Mpro system was found to be the best. The interaction results of FDA drugs with the apo form of COVID-19 Mpro and spike glycoprotein can play an important role for the treatment of COVID-19.

KEY WORDS: COVID-19, Drugs, Molecular modelling, Conformational analysis, Molecular docking

Bull. Chem. Soc. Ethiop. 2020, 34(3), 613-623.
DOI: https://dx.doi.org/10.4314/bcse.v34i3.16
Chemical constituents and acetylcholinesterase inhibitory activity of Piper abbreviatum Opiz
Authors: M. N. H. W. Salleh W. , A. Nafiah M. , H. Yen K. , Kassim H. , Tawang A. 
Published: January 2021

Plants of the genus Piper have long been used as medicinal herbs. The chemistry of Piper species has been widely investigated and phytochemical investigations conducted in all parts of the world have led to the isolation of a number of physiologically active compounds. Thus, this study was carried out to investigate the phytochemicals from Piper abbreviatum and their acetylcholinesterase inhibitory activity, which has not been previously investigated. Fractionation and purification of the aerial parts of P. abbreviatum led to the isolation and identification of five methoxylated flavonoids, namely 5,7-dimethoxyflavone, 4ʹ,5,7-trimethoxyflavone, 3',4',5,7-tetramethoxyflavone, 5-hydroxy-7-methoxyflavone, 5-hydroxy-4ʹ,7-dimethoxyflavone, together with lupeol, lupenone, β-sitosterol, and β-sitostenone. The structures of these compounds were obtained by analysis of their spectroscopic data, as well as the comparison with that of reported data. Acetylcholinesterase inhibitory activity revealed that all isolated flavones were found to inhibit AChE with percentage inhibition values ranged from 24.2 to 58.2%. This is the first report on the isolation of methoxylated flavonoid from P. abbreviatum. The high variants of flavonoid compounds from this species may be used as chemotaxonomic markers for this Piper species.

KEY WORDS: Piperaceae, Piper, Piper abbreviatum, Flavonoid, Acetylcholinesterase

Bull. Chem. Soc. Ethiop. 2020, 34(3), 625-632.
DOI: https://dx.doi.org/10.4314/bcse.v34i3.17
Chemical constituents of Eremomastax speciosa (Hochst.) Cufod leaves and its cytotoxic potential on NIH-3T3 cells
Authors: O. Eve M. , N. Alfred T. , I. Akripo I. , E. Ubana E. , M. Choudhary I. 
Published: January 2021

This study aimed at assessing the cytotoxicity of Eremomastax speciosa crude extract on NIH-3T3 fibroblast cell lines and reporting the chemical constituents in the extract. The MTT assay on NIH-3T3 cells showed a significantly lower (p < 0.05) inhibition from E. speciosa (IC50 > 30 µg/mL) compared to cyclohexamide (IC50 > 0.8 µg/mL). This result validates the non-toxicity observed with the use of E. speciosa on normal cells at low to moderate doses. Four compounds were isolated and identified from their EIMS as well as 1D and 2D NMR spectroscopic data namely hydroxyandrographolide (1), stigmasterol glucoside (2), (Z)-4-coumaric acid 4-O-β-D-apiofuranosyl-(1’’→2’)-O-β-D-glucopyranoside (3) and 5-methoxy-4,4′-di-O-methyl- secolariciresinol-9′-monoacetate (4). These compounds are isolated from this species for the first time. Thirteen volatile constituents were detected in the extract using gas chromatography mass spectrometry (GC-MS). Besides 6,10,14-trimethy-2-pentadecanone (12.63%), mostly fatty acid esters were detected in high amounts notably ethyl hexadecanoate (16.00%), ethyl-9,12,15-octadecatrienoate (11.51%) and 9,12-octadecadienoic acid ethyl ester (8.05%). This study revealed many unsaturated fatty acid esters in E. speciosa and is noteworthy that ω-3 and ω-6 fatty acid esters were predominant, hence an added nutritional value to this plant.

KEY WORDS: Eremomastax speciosa, Secondary metabolites, NIH-3T3 cytotoxicity, NMR, GC-MS

Bull. Chem. Soc. Ethiop. 2020, 34(3), 633-640.
DOI: https://dx.doi.org/10.4314/bcse.v34i3.18
Synthesis, characterization and antimicrobial activities of heteroleptic metal chelates of isoniazid and 2,2’-bipyridine
Authors: F. Akinyele O. , G. Fakola E. , M. Durosinmi L. , A. Ajayeoba T. , O. Ayeni A. 
Published: January 2021

The Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) complexes of isoniazid (L1) mixed with 2,2-bipyridine (L2) were synthesized and characterized by solubility studies, percentage metal analysis, UV-Vis spectroscopy, IR spectroscopy, conductivity measurements and magnetic moment measurements. The IR spectra revealed that the isoniazid coordinated as a bidentate ligand. In Co(II) and Ni(II) complex it coordinated via the carbonyl oxygen (C=O) and the amide nitrogen, while in the Cu(II), Mn(II) and Zn(II) complexes it coordinated using the amide and carbonyl oxygen via enolization. Bipyridine also bonded to the metals as a bidentate ligand through the pyridinic nitrogen atoms. The magnetic data showed that all the complexes were paramagnetic with values ranging from 1.70 to 5.0 B.M., except [Zn(Is)(Bipy)(H2O)Cl2] which was diamagnetic. The conductivity results revealed that the Cu(II), Mn(II), Zn(II) complexes were 1:1 electrolytes while Co(II) was 1:2 electrolyte and [Ni(Is)(Bipy)Cl2] was non-electrolytic in nature. The antibacterial activities of the ligands and the complexes as evaluated via the agar diffusion method showed that the complexes displayed moderately high antimicrobial activity in comparison with the free ligands when tested against ten strains of bacteria.

KEY WORDS: Isoniazid, Electronic structure, Geometry, Antimicrobial activity, Electrolytic nature, Magnetic moment

Bull. Chem. Soc. Ethiop. 2020, 34(3), 471-478.
DOI: https://dx.doi.org/10.4314/bcse.v34i3.4
Preparation and characterization of a gadolinium compound with high thermal stability
Authors: T. Chen W. 
Published: January 2021

A new lanthanide compound [Gd(2,5-HPA)(2,5-PA)]n (1; 2,5-H2PA = 2,5-pyridinedicarboxylic acid) was obtained through hydrothermal reactions and structurally characterized by single-crystal X-ray diffraction. It possesses a three-dimensional (3-D) framework structure. Solid-state photoluminescence experiment revealed that it shows dark blue emission band, which can be assigned to the characteristic emission of the 4f electron intrashell transition of 6P7/2 → 8S7/2 (Gd3+). The energy transfer mechanism was explained by an energy level diagram of the gadolinium ion and 2,5-pyridinedicarboxylic acid ligand. It displayed remarkable CIE chromaticity coordinates of 0.1346 and 0.0678. The solid-state UV/Vis diffuse reflectance spectra unveiled that it possesses a wide optical band gap of 3.52 eV. Thermogravimetry (TG) measurements revealed that this compound is highly thermal stable up to around 500 °C.

KEY WORDS: CIE, Energy transfer, Lanthanide, Photoluminescence, Thermal stability

Bull. Chem. Soc. Ethiop. 2020, 34(3), 479-488.
DOI: https://dx.doi.org/10.4314/bcse.v34i3.5
Mixed isatin with 3-(2-(aryl)hydrazono)acetylacetone Mn(II), Co(II) and Ni(II) complexes: antibacterial evaluation and molecular properties prediction
Authors: S. Hassan A. 
Published: January 2021

The metal complexes {Ni (II), Co (II) and Mn (II)} of 3-(2-(aryl)hydrazono)acetylacetone with isatin were synthesized and screened for their in vitro antibacterial activity against four pathogenic microorganisms {two Gram‐positive and two Gram negative}. The results of antibacterial activities revealed that all the metal complexes 1-9 exhibited moderate activities. Also, Lipinski's rule of five (RO5) of the mixed ligand metal complexes were calculated by SwissADME website.

KEY WORDS: Isatin, 3-(2-(Aryl)hydrazono)acetylacetone, Metal complexes, Antibacterial activities, Lipinski rules

Bull. Chem. Soc. Ethiop. 2020, 34(3), 533-541.
DOI: https://dx.doi.org/10.4314/bcse.v34i3.9
DETERMINANTS OF SYSTEMATIC RISK IN HO CHI MINH CITY’ S REAL ESTATE COMPANIES
Authors: PHƯỢNG NGUYỄN THỊ MỸ 
Published: January 2021

This paper aims to investigate factors affecting systematic risk in Ho Chi Minh City’s real estate companies for the period of 2010-2018. The research includes two stages: (i) Measuring systematic risk in Ho Chi Minh City's real estate companies following the approach of the Capital Asset Pricing Model (CAPM) of Sharpe [42] and Lintner [20]; (ii) Applying the panel data regression following Pooled OLS (POLS), Fixed Effect (FEM), Random Effect (REM) and General Method of Moments (GMM) models with two-step difference to identify factors affecting systematic risk in Ho Chi Minh City’s real estate companies. Findings from Ho Chi Minh City’s real estate companies indicate that financial leverage, interest rates, inflation are positively associated with the systematic risk, while systematic risk in the past, profitability, liquidity, real estate price index, land access index, economic growth, interest rates, banking sector fragility index and Government efficiency are negatively related to the systematic risk. This unique finding proposes significant implications for real estate executives, investors and policymakers.
Peran Gereja dalam Transformasi Pelayanan Diakonia
Authors: Para Nimrot Doke , Tari Ezra , Ruku Welfrid F. 
Published: January 2021

Tulisan ini mengungkapkan pelayanan diakonia gereja. Berangkat dari kegelisahan penulis mengenai kemiskinan di Indonesia, terutama di Nusa Tenggara Timur. Penulis memokuskan di wilayah pelayanan jemaat Ora Et Labora Oesapa. Pendekatan yang dipakai penulis ada kualitatif deskriptif. Berdasarkan penelitian, penulis menemukan, Pertama, diakonia masih berfokus pada karitatif belum mengembangkan transformatis secara maksimal. Kedua, diakonia belum efektif karena belum menyentuh kebutuhan jemaat secara kontekstual. Ketiga, pelayan diakonia belum menemukan dengan baik cara mengatasi kemiskinan
ENSINO DA GEOGRAFIA POR ENTRE LETRAS E CANÇÕES
Authors: Macedo Cátia Oliveira , Oliveira Ana Cristina Freire de , Silva Sharlene Mougo 
Published: January 2021

Neste artigo propomos discutir a aplicabilidade da música como recurso didático para o ensino de geografia. Para tanto, acompanhamos, ao longo do segundo semestre de 2017, duas turmas de 3o ano do Ensino Médio Integrado do Instituto Federal de Educação do Pará-IFPA. Partimos do pressuposto de que a música se apresenta como uma das possibilidades para a construção do conhecimento que interliga o vivido e a elaboração científica, podendo promover saberes contextualizados e críticos. A pesquisa-ação foi escolhida enquanto método por ser uma modalidade qualitativa de pesquisa que consiste tanto na análise e observação de fenômenos, bem como na reflexão do professor sobre sua própria ação. Os resultados apontam que o uso da música como recurso didático de geografia posiciona o aluno como sujeito da relação ensino- aprendizagem, bem como propicia contribuições no ensino de geografia ao agregar ludicidade, criatividade e conhecimento crítico ao seu ensino.
PALAVRAS-CHAVE
Ensino, Geografia, Música, Recursos Didáticos.

THE TEACHING OF GEOGRAPHY AMONG LYRICS AND SONGS
ABSTRACT
In this article, we propose to discuss the usage of music as an educational tool for the teaching of geography. For that purpose, we supervised, during the second semester of 2017, two classes of the 3rd year from the integrated High School of Instituto Federal de Educação do Pará-IFPA. We assume that music is one of the possibilities for the construction of knowledge that connects the living experience and the scientific production, supporting contextualized and critical knowledge. Research-action was chosen as the applied method because it is a qualitative research strategy comprising both the analysis and the observation of phenomena, as well as the teacher's assessment of his own action. The results show that the use of music as an educational tool of geography places the student as a subject of the teaching-learning process, as well as provides advances in this branch of teaching by adding playfulness, creativity and critical knowledge to its practice.
KEYWORDS
Teaching, Geography, Music, Educational Tools.
ASPECTOS METODOLÓGICOS DE PRÁTICA EDUCATIVA COM CARTOGRAFIA TÁTIL
Authors: Biz Ana Claudia , Francischett Mafalda Nesi 
Published: January 2021

Este artigo apresenta aspectos metodológicos de prática educativa com Cartografia Tátil desenvolvida com licenciandos, do segundo ano de Geografia/Licenciatura, na disciplina de Cartografia Escolar, na UNIOESTE. O objetivo é discutir as possibilidades de ensinar por meio de mapas táteis e de atividades que se constituem em orientações metodológicas a respeito da educação inclusiva, com questões gerais sobre a linguagem na Cartografia Tátil, especificamente a leitura de mapa. Para tal, foi elaborado o mapa tátil da região Sudoeste do Paraná, com destaque para o município de Francisco Beltrão. Esta experiência vem sendo desenvolvida por pesquisadores no Laboratório de pesquisa RETLEE (Representações, espaços, tempos e linguagens em experiências educativas), cujo intuito é de trabalhar o ensino de Geografia com estudantes cegos.
PALAVRAS-CHAVE
Geografia, Linguagem, Cartografia tátil.

METHODOLOGICAL ASPECTS OF THE EDUCATIVE PRACTICE WITH THE TACTILE CARTOGRAPHY
ABSTRACT
This article presents methodological aspects of the educative practice with the Tactile Cartography develops with the graduates, of the Geography Degree second grade, in School Cartography discipline, in UNIOESTE. The objective is discuss the possibilities to teach through tactile maps and activities that constitutes in methodological guidelines to respect the inclusive education, with general issues about the language in Tactile Cartography, specify the map reading. For this, was elaborating the tactile map of the Parana’s southwestern region, with emphasis to the Francisco Beltrão municipality. This experience has been developed by researchers in RETLEE Research Laboratory (Representations, spaces, times and languages in educative experiences), whose intention is works the Geography education with the blind students.
KEYWORDS
Geography, Language, Tactile Cartography.
APRENDIZAGEM DE PRINCÍPIOS GEOÉTICOS UNIVERSAIS, COMPETÊNCIA COMUNICATIVA E ESTÁGIOS DE DESENVOLVIMENTO MORAL
Authors: Nobre Carneiro Rosalvo 
Published: January 2021

As teorias de Jurgen Habermas têm ampla aceitação nas ciências. No entanto, a Geografia constitui uma exceção. Verificou-se raras ocorrências a partir do levantamento das fontes em bases de dados sobre a inserção de seu pensamento nas discussões sobre a educação geográfica. Deste modo, objetivou-se analisar a relação entre os estágios do desenvolvimento moral, o desenvolvimento da competência comunicativa e a aprendizagem por princípios éticos e morais universais. Partiu-se da constatação, diante da própria prática docente, do baixo grau de interação comunicativa dos graduandos em discussões de sala de aula e durante a vida acadêmica e, por conseguinte, da necessidade formativa dos educandos mediada pela construção da identidade do Eu pós-convencional para a garantia do exercício da cidadania. A dimensão geográfica da mencionada relação resulta pertinente para a Geografia promover a aprendizagem da espacialização e da espacialidade humana e social, centrada na construção de princípios geoéticos universalistas, a exemplo da justiça espacial, da igualdade espacial dos direitos humanos, do respeito à dignidade dos seres humanos e das suas origens geográficas como fundamentais para a formação cidadã.
PALAVRAS-CHAVE
Estágios de desenvolvimento moral, Aprendizagem, Ação comunicativa, Educação Geográfica, Geoética.

LEARNING OF UNIVERSAL GEOETHICAL PRINCIPLES, COMMUNICATIVE COMPETENCE AND STAGES OF MORAL DEVELOPMENT
ABSTRACT
Jurgen Habermas’s theories are widely accepted in general sciences. However, Geography is an excepetion. Rare occurrences were verified from the survey of sources in databases on the insertion of his thinking in discussions about geographic education. Thus, the aim was to analyze the relationship between the stages of moral development, the development of communicative competence and learning by universal ethical and moral principles. It was based on the observation, in view of the teaching practice itself, of the low degree of communicative interaction of the students in classroom discussions and during academic life and, consequently, of the students' formative need mediated by the construction of the post- to guarantee the exercise of citizenship. The geographical dimension of the aforementioned relation is relevant for Geography in order to promote the learning of human and social spatialization and spatiality, both centered on the construction of universalist geoethical principles, such as spatial justice, spatial equality of human rights, respect for the dignity of beings and their geographic origins as fundamental to citizenship formation.
KEYWORDS
Stages of moral development, Learning, Communicative action, Geographic Education, Geoethics.
PENSAMENTO ESPACIAL E PENSAMENTO GEOGRÁFICO:
Authors: Feliciano dos Reis Matheus 
Published: January 2021

Este artigo tem como centralidade a discussão do ensino de Geografia e da função ou prática social que daí se objetiva. Destarte, exploramos que tal prática social resulta de um processo de ensino-aprendizagem que tem o pensamento espacial e o pensamento geográfico como entes distintos mas interligados. Asseguradas as distinções entre ambos, tomamos a ordem constitutiva desses pensamentos como uma associação elementar entre o desenvolvimento intelectual e a prática social geográfica. Com base na psicologia histórico-cultural e na dialética materialista-histórica, exploramos como a leitura geográfica guarda na formação conceitual sobre as espacialidades a ensinagem de sua identidade científica, assim como a possibilidade de transformação da realidade analisada por parte dos sujeitos-alunos.
PALAVRAS-CHAVE
Pensamento espacial, Pensamento geográfico, Espacialidade, Formação de conceitos, Ensino de geografia.

SPATIAL THINKING AND GEOGRAPHICAL THINKING: from concept learning to geographical social practice
ABSTRACT
This paper argues about Geography teaching and the perspective of a social practice or social purpose related to it. Thus, such practice is explored as stemming from a teaching process in which spatial thinking and geographical thinking are conceived as distinct but intertwined entities. Therefore, the constitutive order of these thoughts is comprehended by the relation between intelectual development and the geographical-social practice. Based on cultural-historical psychology and dialectical and historical materialism, we ensue to explore how the geographical analysis observes in concept learning of spatiality its own scientific identity just as the possibility of transformation of analyzed reality by the schooler-subjects.
KEYWORDS
Spatial thinking, Geographical thinking, Spatiality, Concept learning, Geography teaching.
POTENCIALIDADE DA LINGUAGEM MUSICAL NO ENSINO DE GEOGRAFIA:
Authors: Pinheiro de Paula Lucas , Fernandes Silva Ane Elyse , Nunes Nascimento Carla Cristiane 
Published: January 2021

Neste artigo, apresentamos uma proposta de aula de Geografia colocando em evidência uma prática de ensino que considere a música como rico aporte metodológico e didático. Exemplificando essa força da música capaz de conduzir toda uma proposta – não apenas como um apêndice, abordamos o conteúdo ‘Fluxos Migratórios no Território Brasileiro’, a partir da canção ‘Fotografia 3x4’ de Belchior (1946-2017). Para a construção da proposta, realizamos um levantamento bibliográfico de trabalhos acadêmicos publicados em anais e revistas, cuja temática abordasse o emprego deste tipo de linguagem (musical) na área da Geografia Escolar. A partir das leituras, constatamos a existência de uma carência em referências que, de fato, conseguissem explorar concretamente a potencialidade desta linguagem no âmbito da ciência geográfica e de seu ensino. Acreditamos que a música é capaz de contribuir sensivelmente no processo de renovação da prática docente em Geografia. Ainda, para além disso, apostamos em sua capacidade de promover uma dinamização do processo de ensino e aprendizagem, independente do componente curricular que a traga para o centro de seus debates.
PALAVRAS-CHAVE
Geografia escolar, Linguagem musical, Fluxos migratórios no Brasil.

THE POTENTIALITY OF MUSIC LANGUAGE IN GEOGRAPHY TEACHING: migratory flows in Brazil in Belchior’s song ‘3x4 Photography’
ABSTRACT
In this article, we present a Geography class proposal highlighting a teaching practice that considers music as a power. Exemplifying the Strength of the Multiple Musical Task with the theme ‘Migratory Flows in the Brazilian Territory’, from the song ‘Fotografia 3x4’ by Belchior (1946-2017). The evaluation of this study the subject of classical students work in anal and magazines, where it has approached the use of this type of language (musical) in the area of the School Geography. From the readings, we found the existence of a lack of references that, in fact, could concretely explore a potentiality of language in the space of geographical science and its teaching. We believe that music is able to significantly promote the process of updating Geography documentation. In addition, they bet on their ability to promote the dynamics of the teaching and learning process, an independent component of the curriculum that brings them to the center of their debates.
KEYWORDS
School geography, Musical language, Migratory Flows in Brazil.