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Theoretical Study of Benzothiazole and Its Derivatives: Molecular Structure, Spectroscopic Properties, NBO, MEP and TD-DFT Analyses

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Journal of Materials Science and Chemical Engineering 2024年第3期12卷 31-50页

作者： Konaté Abdoulaye Bédé Affoué lucie Ouattara Lamoussa Koné Soleymane Bamba Kafoumba Laboratory of Constitution and Reaction of Matter University Félix Houphou&#235t-Boigny Abidjan Ivory Coast Department of Marine Sciences University of San-Pedro San-Pedro Ivory Coast Laboratory of Thermodynamics and Physico-Chemistry of Environment University Nangui Abrogoua Abidjan Ivory Coast

Benzothiazole (BTH) and its derivatives are organic molecules with biologic actions. Because of their many applications, they are produced on a massive scale and used in a number of environmental compartments. Their discharge into water produces environmental problems, exposing our environment to public health problems. A solution that can contribute to their deterioration is becoming a necessity. For this reason, a conceptual analysis of the reactivity of benzothiazole and four of its compounds was undertaken in order to investigate certain aspects of their biodegradability. A theoretical investigations of the compounds studied were conducted in the gas and water phases with the most widely used density functional theory method, Becke-3-Parameter-Lee-Yang-Parr (B3LYP) with 6-31G+ (d, p) basis. Reactivity study calculated global indices of reactivity revealed that 2-SCH3_BTH is the most reactive. Dipole moment values analysis reveals that 2-NH2_BTH is the most soluble in water, while the lipophilicity shows that 2-NH2_BTH is the most hydrophilic compound. Thermodynamic parameters values reflect that reactions are respectively exothermic and spontaneous. By analyzing an Electrostatic Molecular Potential (EMP) map, researchers can pinpoint reactive sites on a molecule and anticipate its reactivity. This assessment is further enhanced by incorporating global and local reactivity descriptors. Additionally, an exploration of frontier molecular orbitals offers valuable insights into the molecule’s charge transfer characteristics. Moreover, a combined examination of internal and external molecular interactions unveils hyperconjugative interactions arising from charge delocalization, as elucidated through natural bond orbital (NBO) analysis.

关键词： Benzothiazole Reactivity DFT/B3LYP Stability TD-DFT

Comparative Study of the Widal Test against Stool Culture in the Diagnosis of Suspected Cases of Typhoid Fever in Some Low Income Communities in the Adamawa Region of Cameroon

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Journal of Biosciences and Medicines 2024年第6期12卷 178-190页

作者： Mariane lucie Ngueguim Bernard Viban Tangwa Victor Ngu Ngwa Jules Romain Ngueguim Abdoulmoumini Mamoudou School of Veterinary Medicine and Sciences University of Ngaoundere Ngaoundere Cameroon Department of Veterinary Medicine University of Buea Buea Cameroon Institute de Recherhe Agricole pour le Development (IRAD) Ngaoundere Cameroun

Introduction: Infectious diseases constitute a major concern of public health in developing countries. Facilities and well trained staff have been shown to be one of the major obstacles in the rapid and quality diagnosis of these diseases. As such, we carried out an analysis to compare the Widal test and stool culture to identify febrile patients with Salmonella infection. Method: A cross sectional study was conducted to diagnose salmonella infection with out-patients who demonstrated signs of salmonella infection. Serum was harvested from blood collected from 368 (Vina = 234, Mayo Banyo 65, and Djerem = 69) patients accompanied by stool, Widal test was conducted on the spot and stool was taken to a reference laboratory for culture using standard microbiological methods, sociological set up was calculated in percentages, prevalence was calculated using excel while statistical difference was calculated using SPSS. Sensitivity, specificity, positive predictive value (PPV), and negative predictive value (NPV) were calculated to compare the Widal test against stool culture. Results: A total of 368 (50.8% females and 49.2% males) participants took part in the survey. Salmonella prevalence (66.24%) in stool culture in the Vina division was significantly different (p 0.05). The sensitivity,specificity, PPV, and NPV of slide agglutination test against stool culture varied from different areas (Vina: 51.6%, 73.62%, 79.21% and 43.61%;Mayo Banyo: 60.53%, 77.78%, 79.31% and 58.33%;Djerem: 53.18%, 83.73% 73.91% and 67.39%) respectively. Slide agglutination test has a fair agreement with the stool culture (kappa, Vina = 0.202;Mayo Banyo = 0.37 and Djerem = 0.38). Conclusion: Generally, in the three areas of study, the Widal test had a fair correlation with the stool culture;This means the Widal test should not be used alone but in combination with stool culture in the detection of salmonella infections.

关键词： Salmonella Infections Stool Culture Widal Test Adamawa Region Cameroon

Typology and Agroecology of Agroecosystems in Vegetation Dynamics in the Ecotones of the Mbam and Inoubou

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Open Journal of Forestry 2024年第1期14卷 42-66页

作者： Alex Bruno Dong Etchike lucie Félicité Temgoua Bertine Tiokeng Marie Caroline Momo Solefack Martin Benoit Ngassoum Pierre Marie Mapongmetsem Laboratory of Applied Botany Faculty of Sciences of the University of Dschang Dschang Cameroon Department of Forestry Faculty of Agronomy and Agricultural Sciences University of Dschang Dschang Cameroon National School of Agro-Industrial Sciences of the University of Ngaoundéré Ngaoundéré Cameroon Laboratory of Biodiversity and Sustainable Development of the University of Ngaoundéré Ngaoundéré Cameroon

Agroforestry systems strongly characterize the Cameroonian agrarian landscape. Agroforests are among those structuring the ecotones of Mbam and Inoubou in the Central Cameroon region. Numerous works on agroecosystems of Central and South Cameroon, few have come out contribution of the structure of these traditional systems in the dynamics of the vegetation of these forest-savannah ecotones. The present contribution has the overall objective of demonstrating the structural efficiency of agroforests the dynamics of ecotone vegetation, but also in the conservation of biodiversity. To do this, a participatory analysis was carried out with 56 farmers distributed in the five villages of Makénéné. Botanical inventories supplemented socio-economic household surveys. The data collected was subjected to various analyzes (univariate test, analysis of variance, multivariate test, PCA, CAH). The results reveal that 55.2% of agroforests are less than 15 years old and those with an area greater than 1500 m2 predominate (33%). They are mainly young with generally small surface areas. The horizontal structure reveals that the largest diameter classes are those of [20 - 30 cm[ and [10 - 20 cm[ with a very low rate of basal area. Agroforests with trees over 10 m high are dominant in five villages of Makénéné. Two types of structural profiles characterize the agroforestry flora of the area, namely intensive pluristratified home gardens on savannah and intensive pluristratified agroforests under forest-savannah transition vegetation. Principal Component Analysis (PCA) and Ascending Hierarchical Clustering (HAC) show three Agroforest Clusters each. The PCA distribution reveals that woody biomass (Y) is strongly correlated with tree diameter (DBH) and significantly with height (Cluster 2). The age (AAG) (Cluster 1) of these agroforests, on the other hand, remains independent of the density (DST) of these trees (Cluster 3). The agroforests in the Nyokon, Carrière and Mocksud vil

关键词： Agroforests Agroecosystem Center Cameroon Dynamics Agroecology Typology

Biodiversity of Edible Caterpillars of Imbrasia and Host Plants in Boukoko (Central African Republic)

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Advances in Entomology 2024年第1期12卷 38-55页

作者： lucie Aba-Toumnou Solange-Patrica Wango Denis Beina Jean-Pierre Moalbaye Gorgon Igor Touckia Rufin Reo-Ndouba Felix Allah-Barem Olga Diane Yongo Laboratory of Biological and Agronomical Sciences for Development Faculty of Sciences University of Bangui Bangui Central African Republic Laboratory of Applied Animal Biology and Biodiversity University of Bangui Bangui Central African Republic Center of Studies and Research on Pharmacopoeia and Traditional African Medicine (CERPHAMETA) University of Bangui Bangui Central African Republic Plant and Fungal Biodiversity Laboratory Faculty of Science University of Bangui Bangui Central African Republic Higher Institute for Rural Development (ISDR) University of Bangui Mba&iumlki Central African Republic Central African Republic Institute of Agriculture Research Bangui Central African Republic

In Central African Republic, edible caterpillars of Imbrasia gender are income of rural populations, present an opportunity to improve food security and belonging to the category of Non-wood forest products. The goal of this study is to document the ecology of caterpillars of genre Imbrasia in relation to its host plants in Boukoko. The questionnaire was addressed to the actors of the collection and consumption of caterpillars in this Commune, to their local knowledge concerning this food resource as well as the plants of their locality on which caterpillars are collected. The survey took place in September to October 2022 and as a general rule, the 120 respondents were elderly people whose age range varied from 35 to 70 years old. Plant samples are collected in their natural environment. Based on local names;herbaria are mounted, plants photographed and samples collected. The types of edible caterpillars have been inventoried in the field in collaboration with the local populations who consume them. Based on local names, the caterpillars are captured manually from morphological traits and then stored in bottles containing 70% ethanol. The specimens were identified. The data was entered into the Excel spreadsheet which also made it possible to produce histograms with the frequencies of the plant species most valued by the different caterpillars. A Principal Component Analysis (PCA) was then performed using R software to highlight the correlation between caterpillars and host plants. The main economic importance trees hosting edible caterpillars of Imbrasia gender in Boukoko region are: Entandrophragma cylindricum, Pentaclethra macrophylla, Maesopsis eminii, Albizia ferruginea, Macaranga spinosa, Amphimas ferrugineus, Pentaclethra macrophylla, Racosperma auriculiforme, Eribroma oblonga. The Principal Component Analysis (PCA) carried out to assess the variability between the different species of caterpillars according to their host plants shows that the first two axes

关键词： Forest Degradation Losing Biodiversity of Consumed Insects Local Population

Prevalence of Children Vaccinated against Viral Hepatitis B in Brazzaville

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Open Journal of Pediatrics 2024年第2期14卷 426-434页

作者： lucie Charlotte Ollandzobo Ikobo Farrèche Colombe Missidi Hostaud Bienvenu Atipo-Ibara Arnaud Mongo Onkouo Clausina Philestine Ahoui Apendi Jile Florent Mimiesse Blaise Irénée Atipo Ibara Faculty of Health Sciences Marien Ngouabi University Brazzaville Republic of the Congo Infant Paediatrics Department Brazzaville University Hospital Brazzaville Republic of the Congo Gastroenterology and Internal Medicine Department Brazzaville University Hospital Brazzaville Republic of the Congo

Introduction: Viral hepatitis B (VHL) is a public health problem, particularly in sub-Sahara Africa. The aim of this study was to assess vaccination coverage against HBV in children in Brazzaville. Patients and Methods: This was a cross-sectional analytical study conducted in Brazzaville health centres from January to September 2019. It involved children aged between six months and six years who received a vaccination against HBV. Sampling was exhaustive and based on stratified sampling. Results: The overall prevalence of children vaccinated against HBV in Brazzaville was 96.2%. It was insufficient in the Talangai health district (79%). The pentavalent vaccine was administered to 97.7% of children, 85% of whom had received all three doses. The reasons for incomplete vaccination were parents’ ignorance of HVB (85.6%) and of vaccination (14.3%). Conclusion: Although the prevalence of vaccinated children is high in Brazzaville, it is still insufficient in some health districts, particularly Talangai, because parents are unaware of the disease and of vaccination. Pentavalent is the only vaccine available in the national vaccination programme, which is why an effective national vaccination policy needs to be put in place. .

关键词： Prevalence Vaccination Viral Hepatitis B Child Brazzaville

Reevaluation of dialect boundaries in the Yellowhammer(Emberiza citrinella)based on citizen science data:Should we split or lump?

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Avian Research 2023年第3期14卷 361-368页

作者： lucie Diblíkova Pavel Pipek Stanislav Vosolsobe Adam Petrusek Tereza Petruskova Charles University Faculty of ScienceDepartment of EcologyVinicna 7PragueCZ-12800Czech Republic Czech Academy of Sciences Institute of BotanyDepartment of Invasion EcologyZamek 1PrůhoniceCZ-25243Czech Republic Charles University Faculty of ScienceDepartment of Experimental Plant BiologyVinicna 5PragueCZ-12800Czech Republic

Dialects are a specific form of geographic variation of birdsong with relatively sharp boundaries between distinct song characteristics,which provide opportunities for focused studies of processes underlying the emergence of spatial patterns in *** songbird species that exhibit dialects became models for such research,and for some of them large-scale datasets were assembled that included recordings provided by the *** them,the Yellowhammer(Emberiza citrinella,Emberizidae) is particularly prominent,as it has been recently a subject of dedicated citizen science projects focusing on its dialect *** most successful,in terms of public participation as well as the number and density of obtained recordings,was the Dialects of Czech Yellowhammers(DCY) project,which assembled detailed data at the whole-country level.A mosaic of almost all common song variants known across Europe was observed in Czechia,but the results indicated that some of the traditionally recognized Yellowhammer dialects may not represent geographically clustered song variants,at least not in Central *** quantitatively analysed variation(frequency and temporal characteristics and modulation) of the terminal song element in three dialects defined by arbitrary frequency thresholds in *** analyses indicated that pooling these to two distinct groups reflects the variation in the songs,as well as their spatial distribution,better than retaining the current classification to three dialects or their finer splitting to even more *** provide simple measures that may be used for classification of these Yellowhammer song variants in Central ***,we warn from indiscriminate transposing of results from one region to another,as that may lead to substantial *** studies of birdsong variation will benefit from big data assembled by citizen scientists,but to maximise their usefulness for further dialect research,careful delineation of d

关键词： Birdsong Geographic variation Bioacoustics Dialects Public participation

Length-based separation of Bacillus subtilis bacterial populations by viscoelastic microfluidics

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Microsystems & Nanoengineering 2022年第1期8卷 149-159页

作者： Ping Liu Hangrui Liu lucie Semenec Dan Yuan Sheng Yan Amy K.Cain Ming Li Suqian University Suqian 223800China School of Engineering Macquarie UniversitySydneyNSW 2109Australia Department of Physics and Astronomy Macquarie UniversitySydneyNSW 2109Australia ARC Centre of Excellence in Synthetic Biology Department of Molecular ScienceMacquarie UniversitySydneyNSW 2109Australia Centre for Regional and Rural Futures Deakin UniversityGeelongVIC 3216Australia Institute for Advanced Study Shenzhen UniversityShenzhen 518060China Biomolecular Discovery Research Centre Macquarie UniversitySydneyNSW 2109Australia

In this study,we demonstrated the label-free continuous separation and enrichment of Bacillus subtilis populations based on length using viscoelastic ***,a gram-positive,rod-shaped bacterium,has been widely used as a model organism and an industrial *** can be arranged in different morphological forms,such as single rods,chains,and clumps,which reflect differences in cell types,phases of growth,genetic variation,and changing environmental *** ability to prepare *** populations with a uniform length is important for basic biological studies and efficient industrial ***,we systematically investigated how flow rate ratio,poly(ethylene oxide)(PEO)concentration,and channel length affected the length-based separation of *** *** lateral positions of *** cells with varying morphologies in a straight rectangular microchannel were found to be dependent on cell length under the co-flow of viscoelastic and Newtonian ***,we evaluated the ability of the viscoelastic microfluidic device to separate the two groups of *** cells by length(i.e.,1-5μm and>5μm)in terms of extraction purity(EP),extraction yield(EY),and enrichment factor(EF)and confirmed that the device could separate heterogeneous populations of bacteria using elasto-inertial effects.

关键词： viscoelastic separation straight

Adsorption of Naphthol Green B on unburned carbon：2-and3-parameter linear and non-linear equilibrium modelling

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Chinese Journal of Chemical Engineering 2017年第1期25卷 37-44页

作者： lucie Bartoňová lucie Ruppenthalová Michal Ritz VSB-Technical University of Ostrava Faculty of Metallurgy and Material Engineering Department of Chemistry Tr. 17. listopadu 15 708 33 Ostrava Poruba Czech Republic VSB-Technical University of Ostrava Sustainable Development of Centre ENET Tr. 17. listopadu 15 708 33 Ostrava Poruba Czech Republic VSR-Technical University of Ostrava Regional Materials Science and Technology Centre Tr. 17. listopadu 15 708 33 Ostrava Poruba. Czech Republic Institute of Geonics of the CAS Studentskd 1768 708 000strava Poruba Czech Republic

The study deals with adsorption of Naphthol Green B on two unburned carbons and the parent coal,from which the UCs have been created in a fluidised-bed power *** attention has been paid to the adsorption equilibrium modelling:experimental data has been analysed using 2-parameter(Langmuir,Freundlich) and3-parameter(Redlich-Peterson) isotherms — both linear and non-linear regressions have been used for the estimation of the isotherm *** the case of both UCs,the Langmuir isotherm model provides the worst fit,whereas 2-parameter Freundlich and 3-parameter Redlich-Peterson models are both good,from which 3-parameter Redlich-Peterson isotherm provides slightly better results(despite the penalty used for the higher number of parameters).In the case of both UCs,the linear regression of Freundlich and Redlich-Peterson models provides good results(comparable with non-linear regressions).Unlike both UCs,the best fit of the experimental data from the adsorption on the coal has been achieved by the Langmuir isotherm *** results based on the Freundlich or Redlich-Peterson model were(in this case) somewhat worse.

关键词：非线性回归 Green 吸附平衡线性模型未燃碳实验数据分析等温线模型吸附等温模型

Tectonic Phase Separation Applied to the Sudetic Marginal Fault Zone(NE part of the Czech Republic)

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Journal of Mountain Science 2015年第2期12卷 251-267页

作者： NOVAKOVA lucie Department of Seismotectonics Institute of Rock Structure and Mechanics Academy of Sciencesv.v.i.V Holesovickach 41Prague 8Czech Republic

This study emphasizes the advantage of tectonic phase separation in determination of a tectonic evolution of complicated fault zones. The research focused on the Sudetic Marginal Fault Zone(SMFZ) –a 250 km long active fault zone with documented intraplate seismicity situated on the NE margin of the Bohemian Massif(the Czech Republic). The tectonic history of the SMFZ as well as its kinematic development has been rather complicated and not quite understood. A field structural investigation was carried out in extensive surroundings of the fault zone. The fault-slip data were collected in a number of natural outcrops and quarries with the aim at establishing a robust and field-constrained model for local brittle structural evolution of the studied area. A paleostress analysis was calculated using the collected fault-slip data inversion. The T-Tecto software was utilized for semiautomatic separation of the paleostress phases. Simultaneously three methods of data separation were employed:(1) the Gauss inverse method,(2) the Visualization of Gauss object Function, and(3) the frequency analysis. Within the fault zone multiphase movements were observed on various types of faults as well as wide range of the kinematic indicators orientations. The frequency analysis confirmed the multiphase history of the SMFZ. The calculated tectonic phases were divided according to their relative age as constrained by cross cutting relationships and, where observed, multiple striations on a single fault plane and classified from the oldest to the younger. Data separation and inversion usingT-Tecto software with the Gauss inverse method revealed four different stress phases which are 3 strike-slip stress regimes and one compressional regime. The strike-slip regimes are characterized by σ1 trending NW-SE(43), NNE-SSW(18), ENE-WSW(76) and the compressional one by σ1 trending W-E(26). First, compression occurred parallel to the SMFZ supposedly during the Variscan period. Second, compression at

关键词：活动断裂带捷克共和国构造演化相分离东北部应用波希米亚地块高斯函数