bluuebunny/crossref_metadata_2025_split huggingface dataset:
Theoretical investigation of norfloxacin hybrid compounds with silver, copper, and gold metals as potential anticancer agents
Authors: Mohammed Alsuhaibani Amnah , Shakya Sonam , Islam Maidul , S. Refat Moamen 
Published: September 2024

The strategy of drug repurposing and repositioning in developing hybrid molecules is significant in drug discovery. Norfloxacin (Nor) hybrids, part of the fluoroquinolone class of antibiotics, have demonstrated anticancer properties. Various norfloxacin metal complexes have been synthesized and evaluated for their anticancer potential through docking simulations using AutoDock Vina. To preliminarily identify potential molecular targets for these anticancer compounds, docking studies were conducted with a variety of enzymes and receptor proteins associated with the cell cycle, cell growth, and DNA replication. These targets included cyclin dependent protein kinase-2 (CDK-2), CDK-6, DNA topoisomerases I and II, B cell lymphoma-2 (Bcl-2), and vascular endothelial growth factor receptor-2 (VEGFR-2). Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations were conducted utilizing the B3LYP functional with the 6-311G++ and LanL2DZ basis sets. This study investigated the optimized geometries, molecular electrostatic potential (MEP) maps, key molecular properties, and HOMO-LUMO energy gaps of Nor, Nor zwitterionic structure, and its synthesized compounds ([Ag2(Nor)2](NO3)2, [Cu(Nor)2(H2O)2]SO4.5H2O, and [Au(Nor)2(H2O)2]Cl3).
KEY WORDS: Norfloxacin, Anticancer agents, DFT/ TD-DFT, Molecular docking
Bull. Chem. Soc. Ethiop. 2024, 38(6), 1775-1790.
DOI: https://dx.doi.org/10.4314/bcse.v38i6.21
Synthesis and in vitro screening of benzo[h]coumarinyl heterocycles as promising antibacterial agents
Authors: F. Al burgus Abdallah. , T. Ali Omar , Y. Mohammad Omar 
Published: September 2024

In this study, benzo[h]coumarin and the corresponding substituted chalcones were designed and synthesized. These compounds have been used as a precursor to prepare various heterocyclic compounds like pyrimidines, pyrazole, pyrazole-1-carbothioamide, diazepines, oxazepines, isoxazoles and epoxides. The structures of the synthesized compounds were confirmed by FT-IR, 1H and 13C-NMR spectroscopy. These target heterocyclic derivatives were biologically screened against Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) pathogenic bacteria. The best obtained result was for compound (6b) against S. aureus, Gram-positive bacteria.
KEY WORDS: Benzo[h]coumarin, heterocyclic compounds, antibacterial activity
Bull. Chem. Soc. Ethiop. 2024, 38(6), 1815-1826.
DOI: https://dx.doi.org/10.4314/bcse.v38i6.24
Synthesis, characterization, density functional theory (DFT) analysis, and mesomorphic study of new thiazole derivatives
Authors: Rifaat Taher Sardasht , Mahood Hamad Wali 
Published: September 2024

This study focuses on synthesizing and characterizing a new series of organic compounds with a heterocyclic core based on sulfur (thiazole). These compounds, labeled as N-(4-(4-alkoxyphenyl) thiazol-2-yl)-1-(naphthalen-2-yl) methanimine (ATNM)n, incorporate alkoxy chains of varying lengths (CnH2n+1O, n = 2, 3, 4, 5, 6, 7, 8, 9, 10, and 12) through a multi-step process. Structural analysis using FT-IR, 1H-NMR, and 13C-NMR confirmed the composition of these compounds. Theoretical calculations using density functional theory (DFT) were carried out with the B3LYP 6-311G (d,p) basis set for the entire set of synthesized compounds (ATNM)n. The (Gaussian 9) software was employed to compute optimized geometrical structures of the proposed compounds in the gas phase. However, investigations into their phase behavior using polarizing optical microscopy (POM) and differential scanning calorimetry (DSC) revealed that none of the compounds in this series exhibited the typical mesomorphic characteristics of liquid crystals. Comparisons were made between theoretical predictions from DFT and observed data obtained through synthesized compounds study. The results revealed that the presence of terminal alkoxy significantly influenced the overall energy of potential geometric structures, along with their physical and thermal characteristics.
KEY WORDS: Heterocyclic compounds, Thiazole, Liquid crystals, DFT, Methanimine
Bull. Chem. Soc. Ethiop. 2024, 38(6), 1827-1842.
DOI: https://dx.doi.org/10.4314/bcse.v38i6.25
Antibacterial activity of secondary metabolites from the roots of Solanum dasyphyllum: A combined in vitro and in silico study
Authors: Bekere Belitibo Dereilo , Meressa Asfaw , Abebe Abiy , Degu Sileshi , Endale Milkyas , Teka Assamo Frehiwot , Tesfaye Ayele Tamrat , Tadesse Gurmessa Getahun , Gurmessa Fekadu , Wolde-Mariam Messay , Abdissa Negera 
Published: September 2024

Solanum dasyphyllum is widely utilized for folk medicine in Ethiopia. The chromatographic separation of root extract of S. dasyphyllum led to the isolation of six compounds: tremulacin (1), scopoletin (2), stigmasterol (3), β-sitosterol (4), palmitic acid (5) and 2,3-dihydroxypropyl-9Z,12Z-octadecadienoate (6). The structures of the compounds were determined using NMR (1D and 2D), MS and comparison with literature data. The extract and isolated compounds were in vitro assayed against six bacterial strains and displaying activity against the tested strains. The extract exhibited stronger activity against E. coli, K. pneumoniae, and P. aeruginosa, with MIC values of 0.195±0.0, 0.391±0.0, and 0.195±0.0 mg/mL, respectively. The isolated compounds also showed good antibacterial activity with the highest activity was recorded for compound 2, with MIC values of 0.313±0.0 mg/mL against K. pneumoniae, while for the ciprofloxacin is 0.195±0.0 mg/mL against the same strain. In silico molecular docking analyses were performed for compounds 1, 2 and 3 against E. coli DNA gyrase B, P. aeruginosa LasR protein, and K. pneumoniae using AutoDock Vina and showed better binding activity. The in vitro antibacterial results and in silico analysis of the compounds revealed the potential of these compounds to be lead compound for antibacterial drug discovery.
KEY WORDS: Solanum dasyphyllum, Chromatographic separation, Antibacterial activity, Molecular docking
Bull. Chem. Soc. Ethiop. 2024, 38(6), 1843-1860.
DOI: https://dx.doi.org/10.4314/bcse.v38i6.26
The magnetic characteristics and electronic configuration of GAN compound modified by individual impurities (Fe and Ni)
Authors: EL Merzouki Zakaria , Rkhioui Nour-ddine , Hassan Benhsin El , Cherraj Mohammed 
Published: September 2024

The Korringa–Kohn–Rostoker (KKR) method coupled with the coherent potential approximation (CPA) is employed to examine the magnetic characteristics and electronic configuration of GaN that has been infused with individual impurities (Fe and Ni). The partial and total DOS of all systems were determined. Our investigation focuses on assessing the impact of varying doping concentrations on the band gap and total energies. To comprehensively explore this subject, we analyze and interpret the magnetic moment of GaN substances across a range of doping concentrations.
KEY WORDS: Electronic structure, Magnetic proprieties, Band gap, KKR method, CPA approximation, GaN compounds
Bull. Chem. Soc. Ethiop. 2024, 38(6), 1861-1868.
DOI: https://dx.doi.org/10.4314/bcse.v38i6.27
Unveiling the novel anti-corrosion and anti-bacterial biofilm forming characteristics of eco-safe MWCNT-AZ91E alloy for food-processing surfaces
Authors: Prabakaran Elanjeitsenni Veera , Vadivu Kulandhaivelu Senthil 
Published: September 2024

This study explores the eco-friendly modification of AZ91E alloy with MWCNT casting to enhance surfaces crucial for food processing, storage, and transportation, with a specific focus on reducing bacterial biofilm formation and preventing corrosion. Incorporating nanomaterials like MWCNT into magnesium alloys offers promising prospects for improving the surfaces of equipment and structures used in food-related industries. The advanced mechanical properties observed in MWCNT-doped alloys can lead to the development of lightweight yet durable surfaces essential for maintaining hygiene standards and ensuring food safety during processing, storage, and transportation. Employing sophisticated systematic practices such as XRD, FTIR, and Vickers hardness testing allows for comprehensive evaluation of surface modifications and mechanical enhancements. Furthermore, the demonstrated corrosion resistance of MWCNT-doped magnesium alloys is crucial for protecting surfaces from degradation caused by exposure to corrosive environments commonly encountered in food processing facilities and transportation systems. Additionally, the remarkable antibacterial properties exhibited by MWCNT-doped alloys hold promise for mitigating bacterial biofilm formation on surfaces, thereby contributing to enhanced sanitation and hygiene practices in food-related industries.
KEY WORDS: Multiwalled carbon nanotube, Magnesium alloys, Anticorrosion, Squeeze casting, Antibacterial, Biofouling
Bull. Chem. Soc. Ethiop. 2024, 38(6), 1897-1914.
DOI: https://dx.doi.org/10.4314/bcse.v38i6.30
TMAB modified NiFe2O4 nanoparticles for the Effective removal of Eriochrome Black-T azo dye
Authors: Jayanthi G. , Andal V. , Prabaharan M. , Kannaiyan Suba 
Published: September 2024

The Eriochrome Black-T (EBT) azo dye was removed from aqueous solution using TMAB (tetramethyl ammonium bromide) stabilised NiFe2O4 (TMAB@NFO) nanoparticles, which have been synthesized through polymeric precursor method. X-ray diffraction (XRD), scanning electron microscopy (SEM), and Fourier transform infrared spectra (FTIR) were used to analyse the TMAB@NFO nanoparticles. Adsorption studies were conducted under a variety of conditions, including pH, adsorbent dosage, and contact time, intraparticle diffusion, pseudo-first- and pseudo-second-order kinetic models were used to analyse the kinetic data. According to the systematic study of adsorption isotherms and kinetics models, TMAB@NFO nanoparticles will adsorb EBT dye utilising the Freundlich model and pseudo-second-order kinetics. The intraparticle diffusion model revealed a linear relationship (R2 - 0.98, 0.97, and 0.94 for TMAB@NiFe2O4 and bare NiFe2O4-NPs), demonstrating how surface modification influences the overall EBT adsorption process and the pore diffusion rate. Additionally, the manufactured nano adsorbents of NiFe2O4 were effectively regenerated and reused after the treatments up to four times following the elimination of 89% of EBT dye by TMAB@NiFe2O4-NPs. The results have demonstrated the enormous potential of TMAB @NiFe2O4-NPs to eliminate EBT in a practical way.
KEY WORDS: Tetramethyl ammonium bromide, NiFe2O4, EBT, Surface capping, Adsorption, Kinetics
Bull. Chem. Soc. Ethiop. 2024, 38(6), 1569-1581.
DOI: https://dx.doi.org/10.4314/bcse.v38i6.6
Evaluation of Cost and Return Analysis and Determinants of Profitability of Sawmill Industry in Ogbomoso Area of Oyo State, Nigeria
Authors: Kabir G. B. , Azeez F. A. , Awe F. 
Published: September 2024

The study examined cost and return analysis and determinants of profitability of saw mill industry in Ogbomoso area of Oyo state, Nigeria. Multi-stage sampling procedure was employed to select seventy-six (76) saw millers in the study area. Detailed questionnaire was used to obtain relevant information from the respondents. Budgetary analysis was used to calculate the profitability while regression analysis was used to determine factors affecting the profitability of the sawmill. About thirty-six percent (36%) of the respondents fell within the age range of 51 -60 years, eighty three percent (83%) were males and ninety two percent 92% engaged in saw milling as the only source of livelihood. The result of the budgetary analysis showed that total variable cost was (TVC) ₦1,044,142, Total fixed cost (TFC) was ₦65,774.5 while the total cost (TC) was computed as ₦1,109,917.4 and total revenue (TR) was ₦1,721,573. The profit realized was ₦611,655.6 and the gross margin was₦ 677430.1 while the BCR was 1.55. The result of the regression analysis showed that number of trained sawyers (P<0.1), source of capital (P<0.1) and quantity of plank sold (P<0.05) and type of conversion machine used (P< 0.05) increased the profitability of sawmill business in the study area. The study recommended that old/obsolete machineries should be replaced and respondents’ proper training is paramount to an efficient saw milling operation.
Enhancing crop resistance to root nematodes through advanced breeding techniques
Authors: Ukpene A.O. , Oduma E.O. 
Published: September 2024

This study aimed to evaluate the effectiveness of using nematode-resistant maize and cassava in Nigeria to improve farmers' sustainability and reduce pest pressures. Nematodes significantly impact global crop yield and availability, necessitating the development of resistant cultivars to reduce yield losses and reliance on chemical control measures. Field experiments were conducted in Agbor-Nta, Nigeria, using Resistant Variety A and Resistant Variety D developed from CRISPRCas9 and Marker Assisted Selection. The study found that Resistant Variety A reduced nematode count by 80%, increased yields, and higher net profits. Resistant Variety D also showed reasonable nematode control and economic returns, significantly reducing the nematode population to 12 per gram, achieving a 76% reduction. The adoption rate of CRISPR-Cas9 developed Resistant Variety A reached 50% by 2024. The study underscored the importance of advanced breeding technologies in producing nematode-resistant crops for farming sustainability and economies. The application of germplasm from CRISPR-Cas9 and MAS techniques successfully improved genetic improvement, reduced pest pressures, and enhanced yields. These findings align with efforts to improve agricultural sustainability by promoting reliable crop types to maintain food supply and economic stability in agricultural-dependent areas.
Histological changes in the bronchi of the adult Wistar rat following exposure to cement dust
Authors: Ehi-Omosun M.B. , Iyawe V.I. , Sakpa C.L. 
Published: September 2024

Cement dust is a harmful air pollutant. Previous research has linked cement dust to respiratory disease, but its effects on bronchi are poorly understood. The present study examined the impact of cement dust on body weight and bronchial function in Wistar rats. Twenty four Wistar rats between250g and 280g were divided into 4 groups of 6 rats each. Group A rats were placed in a cement dust free chamber while Group B - D animals were exposed to cement dust dispersed from 5g, 10g and 20g of cement, respectively via dust distributor glass-chamber of dimensions 32.5 cm3 × 32.5 cm3 × 16.5 cm3 for 1 hour daily for 30 days. The weights of the rats were taken weekly and the difference between them and previous weights were noted. After 28 days, animals were euthanized and bronchiwere collected for histology. Body weight significantly increased (P<0.05) in all groups. The control group had the highest eight gain compared to the exposed groups. The histological sections of the bronchi of rats in Group A revealed normal bronchi. There were observable histological variations in the bronchial architecture of the exposed rats (Group B-D) which include mucosal ulceration, mucosal infiltrates of inflammatory cells, activated lymphoid follicles and luminal haemorrhage. Histological findings are consistent with usual histological features in bronchiectasis. Cement dust had histomorphological effects on the bronchiwhich are capable of compromising the health of the research animals.
Modeling and mining higher-order networks built from sequences
Authors: Queiros Julie , Queyroi François 
Published: September 2024

Higher-order networks are a class of graphs that incorporate “memory no-des” in order to take into account the indirect interactions that can existin sequential data. They differ from so-called “order 1” networks, whichonly take direct relationships into account. In this article, we provide anoverview of this concept, detailing their construction and the mining tech-niques that can be employed. We present the Python package honyx, whichcontains algorithms already available in the literature. We propose a tuto-rial on its use through a case study of commercial flight itineraries in theUnited States. We also discuss some of the challenges and future directionsin the field.
Les réseaux d'ordre supérieur sont une classe de réseaux qui intègrent des "noeuds-mémoires" afin de prendre en compte les interactions pouvant exister dans des données séquentielles, par opposition aux réseaux dits d'"ordre 1" qui ne prennent en compte que les relations directes. Dans cet article, nous donnons un aperçu de ce concept en détaillant leur construction et les techniques de fouille qui peuvent être employées. Nous proposons un didacticiel sur un cas d'étude utilisant une implémentation de notre part des algorithmes présents dans la littérature. Nous abordons également certains des défis et des orientations futures dans ce domaine.
Faktor - Faktor yang Berhubungan dengan STBM di Desa Lhok Makmur Kecamatan Simeulue Barat, Kabupaten Simeulue Tahun 2023
Authors: Julisma Julisma , Darmawan Darmawan , Murdani Ihsan , Kiswanto Kiswanto , Anwar Sufyan 
Published: September 2024

Lhok Makmur Village located in West Simeulue Sub-District, Simeulue Regency, most of the community has not accessed STBM eitherpillars 1-5 STBM, which was caused by a lack of community willingness to access the STBM program. The purpose of this study was to determine the factors that influence STBM in Lhok Makmur Villager. The method used in this study was quantitative with an observational design through a cross sectional approach, the population in this study were 236 families, the sample in this study were 80 heads of families (KK) or housewives (IRT) the sampling technique was carried out by random sampling. Data were collected using a questionnaire and then analyzed using Univariate and Bivariate Analysis with the help of the SPSS version 26 application. The results of the study based on the results of Bivariate Analysis on the variables of education (p value = 0.073), occupation (p value = 0.584), income (p value = 1.000), there was no statistically significant effect with the dependent variable, while on the awareness variable (p value = 0.019), and the participation variable (p value = 0.001) there was a significant effect with the dependent variable, in the community in Lhok Makmur Village, West Simeulue District, Simeulue Regency. The conclusion of the five independent variables studied was that there are two variables that have an impact, namely, (community awareness and community participation) while the variables (education, employment, income) do not have a statistically significant effect on the dependent variable (STBM). Suggestions for the Puskesmas Sanggiran to be able to collaborate with the Village Apparatus to involve active participation or community empowerment to increase more understanding of the importance of access to STBM programs.
MORFOLOGIA DO SEIO ESFENOIDAL EM FISSURA LABIOPALATINA E SUAS IMPLICAÇÕES CLÍNICAS: UMA REVISÃO DA LITERATURA
Authors: De Paula Oliveira Gringo Caroline , Conceição Santana Júnior Carlos Alberto , Pereira Teotônio dos Santos Pollyana , Pimentel Samersla Maria Olívia , Mazzo Alessandra , Yassutaka Faria Yaedú Renato 
Published: September 2024

Investigou-se qual o tipo de pneumatização (morfologia) do seio esfenoidal é mais comum em pacientes com fissura labiopalatina. Revisão de literatura: A estrutura metodológica utilizada para conduzir este estudo segue a proposta do Instituto Joanna Briggs. As bases National Library of Medicine (PubMed/MEDLINE), Scopus, Embase, Web of Science e Scientific Electronic Library Online (SciELO) foram pesquisados. Dos 129 estudos iniciais, 3 foram incluídos na análise final, sendo os 3 estudos retrospectivos. A morfologia principal do seio esfenoidal mais comumente encontrado em pacientes com fissura labiopalatina é o tipo selar. As extensões mais comuns do seio esfenoidal foram pneumatização do tipo anterior, pneumatização do tipo corpo e pneumatização do processo pterigóideo. Discussão: O seio esfenoidal é o seio paranasal que apresenta mais variações em sua morfologia. Sua morfologia tem relação direta com complicações cirúrgicas importantes, como por exemplo nas cirurgias transesfenoidal e ortognática. Pacientes com fissura labiopalatina são submetidos à cirurgia ortognática para correção de discrepâncias ósseas dos maxilares. Conclusão: Este estudo revelou que o tipo mais frequente do seio esfenoidal em pacientes com fissura labiopalatina é do tipo selar. O tipo selar se estende além da parede anterior da sela túrcica e a pneumatização do processo pterigóideo se estende lateralmente entre o forame redondo e canal vidiano e inferiormente no processo pterigóideo. A morfologia do seio esfenoidal tem relação direta com procedimentos cirúrgicos que manipulam a região como por exemplo as cirurgias transesfenoidal e ortognática. Extensões que podem ser abordadas em cirurgias na região do seio esfenoidal.
Modelo SECI de gestión del conocimiento: Un análisis temático con énfasis en las organizaciones agrícolas
Authors: López-Meza Evelia , Terán-Bustamante Antonia , Leyva-Hernández Sandra Nelly 
Published: September 2024

Objetivo. El objetivo de esta investigación fue identificar las tendencias temáticas sobre la gestión del conocimiento a través del modelo de socialización, exteriorización, combinación e interiorización (SECI) de Nonaka y Tekeuchi. En primer lugar, se realizó un análisis de la aplicación del modelo en general y, luego, en el campo de la agricultura.
Diseño/Metodología/Enfoque. Se realizó un análisis bibliométrico en el que se tuvieron en cuenta 2201 documentos indexados de la base de datos Scopus entre los años 1994 y 2024. El análisis se realizó con las palabras clave utilizadas por los autores para identificar las tendencias temáticas mediante la co-ocurrenciasde palabras.
Resultados/Discusión. Se identificaron núcleos temáticos relacionados con la innovación y la innovación abierta. Se observó un notable auge en el uso de este modelo en los últimos años. En el sector agrícola, la creación y transferencia de conocimiento representan una parte del modelo que ha experimentado un creciente uso. Se destacó la importancia de comprender y aprovechar eficazmente el modelo para impulsar la innovación y el desarrollo sostenible de la agricultura. Por ello, se propuso transformar el conocimiento en la fuente de este.
Conclusiones. Este trabajo pone de manifiesto la escasez de investigaciones sobre el uso del modelo SECI en el ámbito agrícola y destaca su relevancia en el avance de la investigación sobre la gestión del conocimiento, a pesar de las críticas recibidas. Además, los resultados señalan que, para el sector agrícola, las futuras investigaciones sobre gestión del conocimiento se centren en los mecanismos de aprendizaje organizacional, la innovación social, los factores críticos de éxito, los procesos de negocios y la satisfacción laboral.