Display omitted
•Computational studies of potential prospective Oligomers materials by predicting their most important reactive properties are reported.•Geometries analysis and optoelectronics ...properties have been performed by computational quantum calculations.•Development of new π-conjugated photoactive materials with enhanced efficacy and applicability in for organic electronic decives.
In this current study, the π-conjugated oligomers based on Thiazole units have been designed to understand the interaction of molecular orbitals and the influence of the substituents on the energetic HOMO-LUMO gap to build highly π-conjugated nanostructures. Their strong π-conjugated insight was also evidenced in gas phase through the photovoltaic properties using B3LYP/6-31G(d,p) level of theory for potential applications in organic electronic devices. Our research indicates geometries optimized structures, FMOs and chemical parameters were determined to predict optical properties of all oligomers. The results demonstrate that thiazole unit’s addition improved absorption above 400 nm at first excited states. The open-cicruit voltage Voc have been decreased from 2.22 V to 1.26 V in M1-a to M1-d. Whereas, LHE values was increased from 0.404 to 0.986 in M2-a to M2-d. All designed molecules have shown the enhanced optoelectronic characteristic that is plausible reason for their potential photoactive use in Organic Photovoltaics (OPVs) devices efficiencies.
Full text
Available for:
GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPCLJ, UPUK, ZAGLJ, ZRSKP
Bio-oils obtained from biomass contain heteroatoms compounds, like oxolane and thiolane. It is quite difficult for industrialist to purify such refractory bio-oils. One of the efficient strategies ...for the elimination of heteroatoms is hydrogenolysis process, which results in the formation of H2O and H2S residues as by-products. In this work, quantum chemical studies have been used to analyse the reaction mechanism for the removal of hetero atoms (S and O) as H2O and H2S. We selected B3LYP functional of DFT with Pople's basis set 6-311G(d,p) for computing the hydrogenolysis steps without catalyst. LANL2DZ basis set, is used for studying hydrogenolysis steps involving AlCl3 and WS3H3+ as catalysts. All the reactions are analysed at the temperature of 600 K and pressure of 40 bars. Structural, thermodynamic, kinetic properties have been employed to study this process. The analysis of variations parameters during the hydrogenolysis process reveals that these two organic biomass compounds undergo sequential ring opening at C-X (X = O, S) bonds. Butanol and Butanethiol are obtained as a result of first hydrogenolysis process, and these compounds are converted to butane during second catalytic process while eliminating heteroatoms.
Display omitted
•Hydrogenolysis strategy for elimination of the heteroatoms present in biomass homologous organic compounds i.e. Oxolane and Thiolane via DFT calculations.•The hydrogenolysis is studied in presence and absence of AlCl3 and WS2 as catalysts.•Activation barrier for removal of heteroatom is much lowered in the presence of catalyst.
Full text
Available for:
GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPCLJ, UPUK, ZAGLJ, ZRSKP
Thiophene-based molecular semiconductors are of high interest in the development of optoelectronics devices and are extensively used. So far, structural variations have been widely performed on ...linear molecular push-pull in order to optimize their photophysical properties while 2D systems are quite limited. We report herein the synthesis of four new chromophores based on bithiophene core end-capped with dibutylaminostyryl groups and functionalized on the 3,3′ position with different electron withdrawing groups. Optical and electrochemical characterizations have been performed as well as theoretical calculations that corroborate the experimental data.
Display omitted
Full text
Available for:
GEOZS, IJS, IMTLJ, KILJ, KISLJ, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UL, UM, UPCLJ, UPUK, ZRSKP
L'étude théorique d'oligomeres:rc-conjugués obtenus par association de thiophene avec le 1,4diaminobenzene est présentée. L'objectif est de comprendre l'influence de l'allongement de la chaîne sur ...les propriétés géométriques, optoélectroniques et photovoltaiques afin d'élaborer des nanostructures fortement л-conjuguées. La Théorie de la Fonctionnelle de Densité (DFT) avec la fonctionnelle hybride B3LYP ont servi a déterminer les propriétés structurales (distances inter-cycles, angles de torsion) et électroniques (l'énergie des orbitales HOMO et LUMO, la largeur de la bande interdite et l'énergie de chaque molécule). Les propriétés optiques (l'énergie d'excitation et la longueur d'onde d'absorption) ont été obtenues par la théorie de la fonctionnelle de la densité dépendante du temps (TD-DFT). L'étude révele que ces oligomeres possedent des structures partiellement planes avec de faibles largeurs de bande interdite. Les résultats de cette étude théorique montrent que ces composés possedent d'intéressantes propriétés et peuvent donc étre des candidats potentiels pour la conception de dispositifs optoélectroniques.
Background:Beef feet and heads, prepared in soup or incorporated into sauces, are widely consumed in Ouagadougou. However, very little scientific information exists on the nutritional quality of ...these beef co-products offered to consumers.This study focused on determining the technological and nutritional characteristics of smoked feet and heads, as well as dried bovine feet soldin Ouagadougou. Methods: Production monitoring was carried out at the Bouzoutyaar market in order to describe the processing of beeffeet and heads intended for human consumption. Twenty samples were then collected and analysed for macronutrient and mineral content using standard methods. Results:The processing technology for beeffeet and heads is artisanal and based on the steps of grillingfeet and heads on a grid over a wood fire and removing the hair with blades or knives. The average fat and protein contents (g/100 g) of beef feet and heads samples ranged from 6.83 to 10.98 and from 18.16 to 21.37 respectively. The average iron, zinc and magnesium contents (mg/100g) ranged from 8.87 to 19.66, 1.42 to 1.86 and 7.12 to 20.11 respectively. Conclusion:Results showed that beef feet and head meat are fatty meats, rich in protein and iron. The consumption of these products is increasing over time and it would be very important for the actors to be trained on processing technologies for these products in order to guarantee safe products for human consumption. This processing site requires a waste management plan to avoid microbial contamination of these meat co-products.
Few studies addressed the efficacy of human insulin regimens (mostly premix insulin) used in many low-and-middle income countries on glycemic control of children and adolescents with diabetes. The ...aim of this study was to assess the efficacy of the premix insulin on the glycated hemoglobin (HbA
) in comparison to the regular with NPH insulin scheme.
A retrospective study was carried out from January 2020 to September 2022 on patients with type 1 diabetes aged below 18 years followed in Burkina Life For A Child program. They were categorized into three groups, on regular with NPH insulin (Group A), on premix insulin (Group B) and on regular with premix insulin (Group C). Outcome was analyzed based on HbA
level.
Sixty-eight patients with a mean age of 15.38 ± 2.26 years and the sex ratio (M/W) 0.94 were studied. There were 14 in Group A, 20 in Group B, and 34 patients in Group C. The mean HbA
value in the corresponding insulin regimen was 12.8 ± 1.39%, 9.87 ± 2.18%, and 10.66 ± 2.1%, respectively. Glycemic control was better in Groups B and C than Group A (p<0.05) but there was no difference between groups B and C.
Our results indicate that the use of premix insulin gives a better glycemic control than NPH insulin. However, further prospective study of these insulin regimens with a strengthening education strategy and glycemic control by continuous glucose monitoring and HbA
is required to corroborate these preliminary findings.
Introduction: HIV2 is endemic in West Africa. In Burkina Faso, its prevalence was estimated at 2%. The aim of this work was to evaluate the follow-up of patients and also to contribute to the ...availability of data. Methods: We involved 18 years or older. Infection was screened according to the national algorithm. A cross- sectional study from first June 2017 to 31 December 2017 was performed. For each patient, sociodemographic, clinical, biological, therapeutic and evolution data were collected and analyzed. Results: The proportion of patients infected with HIV2 (n = 48; 1.7%) and HIV2 + 1 (n = 67; 2.4%) was 4.3%. The sex rat mean age was 50.3 ± 8.5 years. The combination of 2INTI + LPV/r was the most prescribed (n = 73; 63.5%). The average gain of LTCD4 has evolved from + 236 cells/mm3 in 2011 to + 364 cells/mm3 in 2015. The retention rate at grade 5 was about 70%. Conclusion: The immunological and clinic response of the patients was satisfactory. More than half of the patients remained in the continuum of care after five years of follow-up.
There are no data on type 1 diabetes (T1D) incidence and prevalence in Burkina Faso. We aimed to determine these in persons aged <25 years (y) since the implementation of Life for a Child (LFAC) ...program in 2013.
Data were collected from the prospective program register. Diagnosis of T1D was clinical, based on presentation, abrupt onset of symptomatic hyperglycemia, need for insulin replacement therapy from diagnosis, and no suggestion of other diabetes types.
We diagnosed 312 cases of T1D <25y in 2013–2022. Male-to-female ratio was 1:1. T1D incidence <25y per 100,000 population/year increased from 0.08 (CI 95% 0.07-0.60) in 2013 to 0.34 (CI 95% 0.26-0.45) in 2022 (p=0.002). Incidence <15y/y rose from 0.04 (CI 95% 0.01-0.10) to 0.27 (CI 95% 0.18-0.38) per 100,000/year in 2013 and 2022, respectively (p < 0.002). Prevalence per 100,000 population <25y was 0.27 (CI 95% 0.19-0.37) in 2013 and rose to 1.76 (CI 95% 1.546-1.99) in 2022 (p<0.0001). Mortality rate was 20 (CI 95% 13-29.6) per 1,000-person y.
There is a low but sharply rising T1D incidence and prevalence rates in children and youth in Burkina Faso since LFAC program implementation. It is very likely this is partly due to improved case detection. Mortality remains substantial.
Full text
Available for:
GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPCLJ, UPUK, ZAGLJ, ZRSKP
