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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

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Interest of Cardiac Rehabilitation in Patients with Heart Disease in a Cardiology Department in Senegal

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World Journal of Cardiovascular Diseases 2024年第4期14卷 217-227页

作者： Awa Ba-Diop Abdou Khadir Sow Rim Mohamed Khaled Mor Diaw Mame Saloum Coly Fulgence Abdou Faye Amadou Ndiadé bamba Gaye abdoulaye Ba abdoulaye Samb Laboratory of Physiology and Functional Explorations Department of Medicine Alioune Diop University of Bambey Bambey Senegal IRL3189 Environment Health Societies CNRS-UCAD Dakar Senegal The African Research Network Noncommunicable Diseases Dakar Senegal Laboratory of Physiology and Functional Explorations FMPOS UCAD Dakar Senegal Laboratory of Physiology and Functional Explorations UFR Sant&#233 UAS of Thi&#232s Thi&#232s Senegal INSERM U970 Team 4 Paris France

Cardiac rehabilitation helps improve the prognosis and quality of life for patients with heart disease. To show its interest in the African context, in the management of heart disease, a prospective study was carried out. Its objective was to evaluate the effects of physical rehabilitation on cardiac function. Methods: Patients were evaluated at the beginning and at the end of cardiovascular rehabilitation by cardiovascular, biological, and echocardiographic parameters including the size of the heart chambers, the kinetics of the walls, and the systolic function of the ventricles. Results: The study involved 12 patients, 67% of whom were men. After cardiac rehabilitation, the mean hemodynamic constants had not been significantly modified. However, a significant decrease in Total-Cholesterol, LDL-Cholesterol and triglyceride levels was noted. Mean fasting blood sugar decreased from 1.25 ± 0.48 g/L to 0.92 ± 0.18 g/L and glycated hemoglobin from 7.72% ± 0.01% to 6.45% ± 0.008%. The echocardiographic parameters studied showed an improvement in the dilation of the heart chambers in 8.33% of the patients, the normalization of the ejection fraction of the left ventricle in 16% patients, the improvement of the kinetic disorders in 16% of patients and recovery of right ventricular systolic function in all patients. Conclusion: Cardiac rehabilitation as a secondary preventive measure for cardiovascular disease has contributed significantly to improving the clinico-biological parameters of the disease.

关键词： Cardiac Rehabilitation Heart Disease Cardiovascular Disease

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Modeling and Simulation of an Organic Photovoltaic Cell: ITO/MoO3/CARAPA/PCBM/Alq3/Al with SCAPS

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Modeling and Numerical Simulation of Material Science 2024年第3期14卷 79-96页

作者： Donafologo Soro Adama Sylla Aboudramane Gbané bamba abdoulaye fr.nck Julia Mari Guaita Amal Bouich Siaka Toure Bernabé Marí Dpartement des Sciences et Technologie Ecole Normale Suprieure (ENS) dAbidjan Abidjan Cte dIvoire LASMES Laboratory (Laboratory of Material Sciences Environment and Solar Energy) Universit FHB DAbidjan-Cocody Abidjan Cte dIvoire Unit de Formation et de Recherche Sciences Technologiques Universit de Man Man Cte dIvoire Departament de Fsica Aplicada-IDF Universitat Politcnica de Vlencia Vlencia Spain

Renewable energies are of major interest due to their inexhaustible and clean nature, with minimal impact on the environment. Numerous technological pathways exist in this field, each distinguished by the materials used and their implementation principles. However, the cost-efficiency ratio remains a significant challenge for researchers. Currently, organic materials are gaining popularity due to their relatively low cost. However, their performance, particularly in terms of conversion efficiency, still requires improvements. This study focuses on optimizing the organic photovoltaic cell ITO/MoO3/CARAPA/PCBM/Alq3/Al using SCAPS. Several parameters were considered, such as layer thickness, recombination center density, and doping, to improve the cell’s performance. The optimal parameters obtained include an efficiency of 3%, a fill factor of 81.67%, an open-circuit voltage of 1610 mV, and a short-circuit current of 2.28 mA/cm2. The study also revealed that doping the phenyl-C61-butyric acid methyl ester (PCBM) layer has a significant impact on efficiency and short-circuit current, improving these parameters up to a certain point before causing degradation due to increased recombination. Furthermore, high doping of the tri (8-hydroxyquinoline) aluminum (Alq3) layer improves performance up to a critical threshold, after which degradation is also observed. In contrast, doping the molybdenum trioxide (MoO3) layer does not have a notable impact on cell performance. Regarding the thickness of the active Carapaprocera (CARAPA) and PCBM layers, non-optimal values lead to a decrease in performance. Similarly, an optimal thickness of the Alq3 layer significantly improves efficiency. These results highlight the importance of parameter optimization to maximize the efficiency of organic solar cells.

关键词： Renewable Energie Solar Cells Simulation Organic Materials Performance

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Epidemiological and Clinical Profile and Immediate Outcome of Neonates Transferred from the Maternity Unit to the Neonatology Unit of the CSREF in Commune V of Bamako District, Mali

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Open Journal of Pediatrics 2024年第3期14卷 547-557页

作者： Maimouna Kante Ya Traoré Balilé Harber Beydari Mamadou Traoré Issiaka Koné Diéneba Sacko Maimouna Haidara Korotoumou bamba Assitan Farota abdoulaye Kassogué Mohamed Diarra Dramane Touré Abdoul Salam Diarra Leyla Maïga Dicko Fatoumata Paediatric Ward CSR&#233f CV Bamako Mali Paediatric Ward of Nianankoro Fomba Hospital S&#233gou Mali Paediatric Ward of Kalaban CoroCSREF Bamako Mali Pediatric Department of the Mopti Reference Health Center Mopti Mali National Centre for Scientific and Technological Research Bamako Mali Paediatrics Department Mohamed VI Perinatal Clinic Bamako Mali Department of Paediatrics Gabriel Tour&#233 University Hospital Bamako Mali

Introduction: Neonatal mortality remains a major public health concern. According to the World Health Organisation (WHO), the number of newborns dying each year has fallen from 5 million in 1990 to 2.4 million in 2019. The aim of our study was to describe the main morbid conditions and their lethality in newborns admitted to the paediatric ward of the CSREF in Commune V. Methodology: We conducted a 12-month prospective descriptive and analytical study from August 2020 to July 2021. Results: During the 12 months of the study, out of 2654 neonates admitted to hospital, 216 met our inclusion criteria, i.e. 8%. Newborns admitted in the first few hours of life represented 99.54% of cases. Full-term newborns accounted for 65.74% of the total. Forty-eight percent of newborns had hypothermia on admission. The most common diagnosis was asphyxia in 55.56% of cases, followed by neonatal infection in 27.78% and prematurity in 10.65%. Death was recorded in 22.2% of cases. Asphyxia was the main cause of neonatal death, followed by prematurity in our context. Conclusion: Improving the prognosis of newborn babies will require a thorough understanding of neonatal pathologies and the implementation of a pre- and perinatal prevention policy.

关键词： Newborns Morbidity Mortality

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C1C2 Wiring and Posttraumatic Atlantoaxial Dislocation: An Effective and Cheap Surgical Procedure in a Developing Country

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Surgical Science 2024年第5期15卷 357-370页

作者： Ibrahim Dao Massimiliano Visocchi Salah Sow John Jabang Ousmane Ouattara Astride Somda abdoulaye Sanou Elie Dibloni Nassoum Arsène Tossou Narcisse Ouedraogo frédéric Bako Massadiami Soulama Malick Diallo Patrick Wendpouiré Hamed Dakouré Department of Neurosurgery University Hospital Souro Sanou Nazi Boni University Bobo Dioulasso Burkina Faso High Institute of Health Sciences Nazi Boni University Bobo Dioulasso Burkina Faso Military Hospital Colonel Major Tanguet Ouattara Bobo Dioulasso Burkina Faso Institute of Neurosurgery Craniovertebral Junction Surgery Unit School of Medicine Catholic University Rome Italy Department of Radiology and Medical Imaging University Hospital Yalgado Ouedraogo Joseph Ki-Zerbo University Ouagadougou Burkina Faso Department of Neurosurgery (Unit) Edward Francis Small Teaching Hospital Banjul Gambia Department of Neurosurgery University Hospital Yalgado Ouedraogo Joseph Ki-Zerbo University Ouagadougou Burkina Faso Department of Neurosurgery Military Hospital Capitaine Halassane Coulibaly Ouagadougou Burkina Faso Department of Orthopedic Surgery University Hospital Souro Sanou Nazi Boni University Bobo Dioulasso Burkina Faso

Objectives: Atlantoaxial dislocation remains a rare and serious condition with a high preoperative and postoperative morbidity and mortality. Its successful surgical management is still challenging and gratifying for neurosurgeons. Several technics have been described such as wiring, trans articular screwing, C1C2 screwing with plate and screw introduced by Goel et al., and modified by insertion of polyaxially screw and rod many years later by Harms. Unavailability and expensiveness of upper cervical spine instrumentation device led us to C1C2 Wiring resulting in a good outcome. Finally, a quadriplegic patient with a more comfortable financial condition had ordered devices from abroad and benefit for Goel and Harms screwing technique and improved dramatically from ASIA A to ASIA E. Material and methods: This is a retrospective study of patients managed in our department by a same neurosurgeon from January 2019 to April 2024. Results: We defined 6 men and 1 woman with an average age of 33 years. Unrestrained driver in a rollover motor vehicle accident was most common. Only one patient was neurologically intact on admission. Neurovegetative disorders were noticed in one patient. Dislocation was associated to a fracture of the dens in two patients. Three patients have been successfully operated with remarkable outcome, mostly from ASIA A to E. Conclusion: C1C2 dislocation is a serious condition and C1C2 Wiring represents an effective and cheaper technic. Therefore, this technic should deserve consideration above all in low incomes countries when screwing devices are not available. Seatbelt should be demanded for motor vehicle drivers and passengers.

关键词： Superior Cervical Spine Dislocation fracture Wiring Screwing Neurovegetative Disorders

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Ontogeny of Psychomotor and Sensory Functions in the Rat: Effects of Sexual Dimorphism

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Journal of Behavioral and Brain Science 2023年第11期13卷 206-225页

作者： abdoulaye Bâ Lociné bamba Seydou Silué Université F&eacutelix Houphou&eumlt-Boigny UFR Biosciences Abidjan C&ocircte d’Ivoire

Background: We studied the development of eight (8) different psychomotor and sensory functions in male and female rats, from postnatal day 10 to 45, with the aim of determining whether the ontogenesis of these functions was subject to sexual dimorphism. Methods: Wistar rats bred according to standard conditions in our laboratories were put into reproduction. Ten days after whelping, male and female pups were identified and subjected to a battery of behavioral tests on postnatal days 10, 15, 20, 25, 30 and 45, to assess the development of the following psychomotor and sensory functions: Exploratory activity, locomotor activity, emotional defecation, hind paws lifting reflex latency, wire-grasping time, Latencies of execution of crawling along the wire and of leap onto the ground, nociception (tail flick) and body weight. Results: Only complex brain functions generated by cerebral cortex activities, i.e. exploratory activity and leap execution latency, do not undergo differential development sex-dependent. However, voluntary motor functions initiated in the motor cortex, and requiring high peripheral muscle performance such as crawling execution latency and wire-grasping time developed more rapidly in males than in females. Correlatively, body weight i.e. muscle mass index increased more speedily in males than in females. On the other hand, studies of automatic motor functions such as locomotor activity, and reflex motor functions i.e. hind paws lifting reflex latency and tail flick latency showed earlier development in females than in males. In addition, the study of emotional response, an emanation of limbic structures, showed prodigious development in females compared to males. Conclusion: Our studies have shown that there is a developmental sexual dimorphism of the central nervous system in the rat. Indeed, studies of automatic and reflex motor functions, whose activities are essentially linked to the spinal cord and brainstem, indicated that hindbrain areas deve

关键词： Developing Rats Brain Ontogeny Psychomotor Functions Sexual Dimorphism

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Effects of Ovariectomy and 17<i>β</i>-Estradiol Replacement on Dopamine D2 Receptors in Female Rats: Consequences on Sucrose, Alcohol, Water Intakes and Body Weight

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Journal of Behavioral and Brain Science 2018年第1期8卷 1-25页

作者： abdoulaye Ba Seydou Silué Brahima bamba Lociné bamba Serge-Vastien Gahié Université Félix Houphouë t-Boigny UFR Biosciences Abidjan C&ocirc te d’Ivoire

Background: Mechanisms underlying overeating-induced obesity in post-menopausal woman include functional lack of 17β-estradiol dysregulating dopamine D2 receptors, thereby inducing food addiction, glucose craving or alcohol dependence through reward circuitry. This study aimed at further understanding 17β-estradiol and dopamine D2 receptors interferences in the etiology of woman obesity. Method: Seventy-two Wistar female rats weighing 200 - 205 g, individually-housed, were divided into non-ovariectomized control (C = 6 groups) and ovariectomized rats (OVX = 6 groups) which were concurrently subjected to the following treatments: Non-drug-treated (DMSO vehicle), 17β-estradiol (E2, 5 μg/kg, s.c.), sulpiride (SUL, 20 mg/kg, i.p.), bromocriptine (BR, 0.1 mg/kg, i.p.), E2 + SUL or E2 + BR, designating the 6 constitutive groups of either control or ovariectomy. Within each experimental group, consumption of different solutions (10% alcohol, 10% sucrose and water) as well as food intake and body weight were daily measured, for 10 consecutive days. Results: This study indicated that D2S was a specific inducer of alcohol and food intakes, but reduced sugar consumption. In addition, 17β- estradiol regulated the body weight set point, modulating D2S functions towards increased food intake at lower weights and decreased food intake at higher weights. D2S met the slow genomic actions induced by 17β-estradiol. Conversely, D2L inhibited alcohol and food intakes, but induced specifically sugar consumption, thereby regulating blood glucose levels and promoting energy expenditure in reducing body weight. Indeed, 17β-estradiol exerted a tonic inhibition on D2L which was released by OVX, exacerbating sugar intake and increasing body weight. D2L mediated the rapid metabolic effects of 17β-estradiol. Conclusion: Our results supported physiological data reporting that activation of the mostly expressed presynaptically D2S-class autoreceptors decreased dopamine release stimulating food int

关键词： 17β-Estradiol Dopamine D2 Receptors Bromocriptine Sulpiride Water Sucrose Alcohol Intakes Obesity

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Experimental Study of the Voltage Quality of the Low Voltage Distribution Network: Application to the City of Bobo-Dioulasso

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Open Journal of Applied Sciences 2022年第7期12卷 1262-1270页

作者： abdoulaye Zongo frédéric Ouattara Laboratoire de Recherche en énergétique et Météorologie de l’Espace (LAREME) Unités de Formations et de Recherches en Sciences et Technologies (UFR-ST) Université Norbert ZONGO Koudougou Burkina Faso

The electrical energy produced must be consumed at the same time, hence the need to achieve a balance between supply and demand. Therefore, the production, transport, and distribution systems together constitute an electricity network. The distribution networks are designed to deliver energy to consumers. Unacceptable voltage drops are observed in the distribution networks of developing countries such as Burkina Faso. A study was carried out on the distribution network of the city of Bobo-Dioulasso in Burkina Faso. It allowed for experimentation with the “Megger MPQ1000” network analyzer to evaluate the quality of the voltage supplied to households. To this end, tests were carried out in a public distribution station and at a few subscribers in the Sarfalao district of the city of Bobo-Dioulasso. These tests were used to assess the percentage of voltage drops. These values, which are higher than 8% of the nominal voltage, are not regulatory. The load curves of the consumers in the district were also drawn. Indeed, the period of the high load is between 19:00 and 23:00 Local Time (LT), while the period of the medium and low load is between 00:00 and 18:00 LT.

关键词： Experimental Voltage Drop MV/LV Networks Network Analyzer

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Modeling of Residential Photovoltaic (PV) System Connected to Low Voltage (LV) Network: Application to Public Distribution Network of Burkina Faso

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Journal of Applied Mathematics and Physics 2022年第9期10卷 2698-2707页

作者： abdoulaye Zongo Daouda Konane frédéric Ouattara Laboratoire de Recherche en énergétique et Météorologie de l’Espace (LAREME) Unités de Formations et de Recherches en Sciences et Technologies (UFR-ST) Université Norbert Zongo Koudougou Burkina Faso Laboratoire de Matériaux et Environnement (LAME) Université Joseph KI-ZERBO Ouagadougou Burkina Faso

Residential photovoltaic (PV) systems connected to the grid are used for self-consumption. Any surplus production is fed into the grid and contributes to improving the voltage. Several techniques are developed to model their connection. However, studies on methods of injecting energy production into the Low Voltage (LV) network are nowadays a problem. This paper proposes a mathematical model to determine the current to be injected and calculate each node’s voltage. The current equation is a recurrence relation with an initial condition. This initial condition is for the case of a single PV system connected to the LV grid. The equation can also be written in matrix form. Similarly, the voltage solution is a recurrence relation. It also has an initial condition for the first node. Both mathematical formulae with the proposed initial conditions are consistent and can be used for the determination of the current and voltage of the different nodes in the grid.

关键词： Residential PV System Low Voltage Grid Node Mathematical Model Electric Current

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Ankle-Brachial Index in Systemic Lupus Erythematosus:A Senegalese Case-Control Study

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World Journal of Cardiovascular Diseases 2019年第12期9卷 958-968页

作者： Baidy Sy Kane Maimouna Sow Fatou Aw Abdourahmane Samba Ahmed Tall Lemrabott Awa Cheikh Ndao Souhaibou Ndongo Mouhamadou bamba Ndiaye Maboury Diao abdoulaye Pouye Department of Internal Medicine Le Dantec Teaching HospitalCheikh Anta DIOP UniversityDakarSenegal Department of Cardiology Le Dantec Teaching HospitalCheikh Anta DIOP UniversityDakarSenegal Biochemistry Laboratory Le Dantec Teaching HospitalCheikh Anta DIOP UniversityDakarSenegal Department of Nephrology Le Dantec Teaching HospitalCheikh Anta DIOP UniversityDakarSenegal

Systemic lupus erythematosus (SLE) is associated with accelerated atherosclerosis and increasing cardiovascular risk which is recognized as a major cause of morbidity and death. Whether subclinical atherosclerosis has been evaluated by several methods, there are very limited data about Ankle-Brachial Index (ABI) in patients with systemic lupus erythematosus. The aim of the present study was to compare this index, between SLE patients and controls. We conducted a case-control study in the Department of Internal Medicine of our institution during the period from August 1, 2017 to December 31, 2018. We included 100 subjects, including 50 SLE patients and 50 control cases. This included 44 women and 6 men in patients with an identical distribution in controls. The mean age was 33.5 ± 11.3 years for cases and 33.3 ± 11.3 years (p-value: 0.93) for controls subjects. There was higher frequency of cardiovascular risk factors such as dyslipidemia (p-value at 0.009), low level of serum HDL-cholesterol (p-value??0.001), hypertriglyceridemia (p-value at 0.000) and hyperuricemia (p-value at 0.000) in patients with SLE. Overweight/obesity was higher in controls subjects (p-value at 0.028). There was no statistically significant difference in the frequency of diabetes-mellitus, smoking and high blood pressure. The abnormally ABI was recorded in 19 patients with SLE (38%) and 8 controls (16%) with a p-value: 0.01 and odds ratio: 3.22. Eight patients (16%) and four controls (8%) had low ABI without significant difference (p-value: 0.11 but odds-ratio at 2.98). Eleven patients with SLE (22%) and five controls (10%) had high ABI (p-value: 0.05 and odds-ratio: 3.24). In patients with SLE only disease activity (cSLEDAI) at the inclusion of the study was correlated?to abnormal ABI.?Conclusion:?This study showed an increasing prevalence of abnormal ABI in black African patients with SLE compared to controls with a correlation between disease activity and abnormal ABI.

关键词： Systemic Lupus Erythematosus Subclinical Atherosclerosis Peripheral Arterial Disease Ankle-Brachial Index Africa South of the Sahara

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