Mathematical analysis of the dynamics of COVID-19 in Africa under the influence of asymptomatic cases and re-infection

Coronavirus pandemic (COVID-19) hit the world in December 2019, and only less than 5% of the 15 million cases were recorded in Africa. A major call for concern was the significant rise from 2% in May 2020 to 4.67% by the end of July 15, 2020. This drastic increase calls for quick intervention in the transmission and control strategy of COVID-19 in Africa. A mathematical model to theoretically investigate the consequence of ignoring asymptomatic cases on COVID-19 spread in Africa is proposed in this study. A qualitative analysis of the model is carried out with and without re-infection, and the reproduction number is obtained under re-infection. The results indicate that increasing case detection to detect asymptomatically infected individuals will be very effective in containing and reducing the burden of COVID-19 in Africa. In addition, the fact that it has not been confirmed whether a recovered individual can be re-infected or not, then enforcing a living condition where recovered individuals are not allowed to mix with the susceptible or exposed individuals will help in containing the spread of COVID-19.     

Preparation of Graphene oxide- CuInS2/ZnS Quantum dots Nanocomposite as “Turn-On” Fluorescent Probe for the Detection of Polycyclic Aromatic Hydrocarbons in Aqueous Medium

Journal of Fluorescence - Graphene oxide is well known for its adsorption properties with aromatic compounds. In this study, graphene oxide and eco-friendly ternary CuInS2/ZnS QDs were used to...     

Chemical composition and anti-inflammatory activities of the essential oils from Acacia mearnsii de Wild

The volatile oils of the leaves and the stem bark of Acacia mearnsii de Wild obtained by hydro-distillation were analysed by gas chromatography–mass spectrometry. A total of 20, 38, 29 and 38 components accounted for 93.8%, 92.1%, 78.5% and 90.9% of the total oils of the fresh, dry leaves and fresh, dry stem bark, respectively. The major components of the oil were octadecyl alcohol (25.5%) and phytol (10.5%); cis-verbenol (29.5%); phytol (10.1%) and phytol (23.4%) for the fresh leaves, dried leaves, fresh stem, dry stem bark, respectively. Oral administration of essential oils at a dose of 2% showed significant (p < 0.05) anti-inflammatory properties in the albumin-induced test model in rats. Oils from the fresh leaves and dry stems inhibited inflammation beyond 4 h post treatment. The potent anti-inflammatory activity of essential oils of A. mearnsii hereby confirmed its traditional use in treating various inflammatory diseases.     

Facile synthesis of mercaptosuccinic acid-capped CdTe/CdS/ZnS core/double shell quantum dots with improved cell viability on different cancer cells and normal cells

Water-soluble, mercaptosuccinic acid (MSA)-capped CdTe/CdS/ZnS core/double shell quantum dots (QDs) were prepared by successive growth of CdS and ZnS shells on the as-synthesized CdTe/CdS_thin core/shell quantum dots. The formation of core/double shell structured QDs was investigated by ultraviolet-visible (UV–Vis) absorption and photoluminescence (PL) spectroscopy, PL decay studies, X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS). The core/double shell QDs exhibited good photoluminescence quantum yield (PLQY) which is 70% higher than that of the parent core/shell QDs, and they are stable for months. The average particle size of the core/double shell QDs was ～3 nm as calculated from the transmission electron microscope (TEM) images. The cytotoxicity of the QDs was evaluated on a variety of cancer cells such as HeLa, MCF-7, A549, and normal Vero cells by 3-(4,5-dimethyl-2-thiazolyl)-2,5-diphenyl-2H-tetrazolium bromide (MTT) cell viability assay. The results showed that core/double shell QDs were less toxic to the cells when compared to the parent core/shell QDs. MCF-7 cells showed proliferation on incubation with QDs, and this is attributed to the metalloestrogenic activity of cadmium ions released from QDs. The core/double shell CdTe/CdS/ZnS (CSS) QDs were conjugated with transferrin and successfully employed for the biolabeling and fluorescent imaging of HeLa cells. These core/double shell QDs are highly promising fluorescent probe for cancer cell labeling and imaging applications.     

Glycoside hydrolase stabilization of transition state charge: new directions for inhibitor design

Carbasugars are structural mimics of naturally occurring carbohydrates that can interact with and inhibit enzymes involved in carbohydrate processing. In particular, carbasugars have attracted attention as inhibitors of glycoside hydrolases (GHs) and as therapeutic leads in several disease areas. However, it is unclear how the carbasugars are recognized and processed by GHs. Here, we report the synthesis of three carbasugar isotopologues and provide a detailed transition state (TS) analysis for the formation of the initial GH-carbasugar covalent intermediate, as well as for hydrolysis of this intermediate, using a combination of experimentally measured kinetic isotope effects and hybrid QM/MM calculations. We find that the α-galactosidase from Thermotoga maritima effectively stabilizes TS charge development on a remote C5-allylic center acting in concert with the reacting carbasugar, and catalysis proceeds via an exploded, or loose, S_N2 transition state with no discrete enzyme-bound cationic intermediate. We conclude that, in complement to what we know about the TS structures of enzyme-natural substrate complexes, knowledge of the TS structures of enzymes reacting with non-natural carbasugar substrates shows that GHs can stabilize a wider range of positively charged TS structures than previously thought. Furthermore, this enhanced understanding will enable the design of new carbasugar GH transition state analogues to be used as, for example, chemical biology tools and pharmaceutical lead compounds.

Positive charge stabilized on remote C5-allylic center with catalysis occurring via a loose S_N2 transition state.     

Optimization of Infrared Heating Conditions for Precooked Cowpea Production Using Response Surface Methodology

The infrared heating of preconditioned cowpea improves its utilization and potential application in food systems. This study investigated the effect of optimizing preconditioning and infrared heating parameters of temperature and time on cooking characteristics of precooked cowpeas using response surface methodology (RSM). The moisture level (32–57%), infrared heating temperature (114–185 °C), and time of processing the seeds (2–18 min) were optimized using a randomized central composite design to achieve optimal characteristics for bulk density and water absorption. A second-order polynomial regression model was fitted to the obtained data, and the fitted model was used to compute the multi-response optimum processing conditions, which were the moisture of 45%, the heating temperature of 185 °C, and time of 5 min. Precooked cowpea seeds from optimized conditions had a 19% increase in pectin solubility. The total phenolic and total flavonoid contents were significantly reduced through complexation of the seeds’ phenolic compounds with other macromolecules but nonetheless exhibited antioxidant properties capable of scavenging free radicals. There was also a significant reduction in phytate and oxalates by 24% and 42%, respectively, which was due to the heat causing the inactivation of these antinutrients. The obtained optimized conditions are adequate in the production of precooked cowpea seeds with improved quality.     

Effect of precursor concentration on the growth of zinc oxide nanorod arrays on pre-treated substrates

Well aligned zinc oxide nanorod arrays (ZNAs) synthesized by a simple chemical bath deposition method were fabricated on pre-treated Si substrates. By keeping the molar VI/II ratio constant, the effect of precursor concentration on the growth and optical quality of the ZNAs was investigated. The as-synthesized ZNAs were characterized by field emission scanning electron microscopy (FESEM), x-ray diffraction (XRD) and photoluminescence spectroscopy (PL). FESEM images show that both the diameter and aspect ratio of the ZNAs increase dramatically as the precursor concentration increases. The XRD analysis indicates that all the as-grown ZNAs are crystalline and are preferentially oriented along the c-axis. The high intensity ratio of the UV emission to visible emission in the room temperature PL spectra illustrate that high optical quality ZNAs were produced.     

Role of VI/II ratio on the growth of ZnO nanostructures using chemical bath deposition

In this paper the growth process and morphological evolution of ZnO nanostructures were investigated in a series of experiments using chemical bath deposition. The experimental results indicate that the morphological evolution depends on the reaction conditions, particularly on OH⁻ to Zn²⁺ ratio (which directly affects the pH). For low VI/II ratios, quasi-spherical nanoparticles of an average diameter 30 nm are obtained, whereas for larger VI/II ratios, nanorods with an average diameter less than 100 nm are produced, which indicates that by systematically controlling the VI/II ratio, it is possible to produce different shapes and sizes of ZnO nanostructures. A possible mechanism for the nanostructural change of the as-synthesized ZnO from particle to rod was elucidated based on the relative densities of H⁺ and OH⁻ in the solution.     

Controlled synthesis of silver-based ternary quantum dots with outstanding luminescence

Journal of Fluorescence - Quantum dots (QDs) have attracted much attention over the past decades due to their outstanding properties. However, obtaining QDs with excellent photoluminescence and...     

Deciphering the Interactions of Bioactive Compounds in Selected Traditional Medicinal Plants against Alzheimer’s Diseases via Pharmacophore Modeling,Auto-QSAR,and Molecular Docking Approaches

Neurodegenerative diseases, for example Alzheimer’s, are perceived as driven by hereditary, cellular, and multifaceted biochemical actions. Numerous plant products, for example flavonoids, are documented in studies for having the ability to pass the blood-brain barrier and moderate the development of such illnesses. Computer-aided drug design (CADD) has achieved importance in the drug discovery world; innovative developments in the aspects of structure identification and characterization, bio-computational science, and molecular biology have added to the preparation of new medications towards these ailments. In this study we evaluated nine flavonoid compounds identified from three medicinal plants, namely T. diversifolia, B. sapida, and I. gabonensis for their inhibitory role on acetylcholinesterase (AChE), butyrylcholinesterase (BChE) and monoamine oxidase (MAO) activity, using pharmacophore modeling, auto-QSAR prediction, and molecular studies, in comparison with standard drugs. The results indicated that the pharmacophore models produced from structures of AChE, BChE and MAO could identify the active compounds, with a recuperation rate of the actives found near 100% in the complete ranked decoy database. Moreso, the robustness of the virtual screening method was accessed by well-established methods including enrichment factor (EF), receiver operating characteristic curve (ROC), Boltzmann-enhanced discrimination of receiver operating characteristic (BEDROC), and area under accumulation curve (AUAC). Most notably, the compounds’ pIC₅₀ values were predicted by a machine learning-based model generated by the AutoQSAR algorithm. The generated model was validated to affirm its predictive model. The best models achieved for AChE, BChE and MAO were models kpls_radial_17 (R² = 0.86 and Q² = 0.73), pls_38 (R² = 0.77 and Q² = 0.72), kpls_desc_44 (R² = 0.81 and Q² = 0.81) and these externally validated models were utilized to predict the bioactivities of the lead compounds. The binding affinity results of the ligands against the three selected targets revealed that luteolin displayed the highest affinity score of −9.60 kcal/mol, closely followed by apigenin and ellagic acid with docking scores of −9.60 and −9.53 kcal/mol, respectively. The least binding affinity was attained by gallic acid (−6.30 kcal/mol). The docking scores of our standards were −10.40 and −7.93 kcal/mol for donepezil and galanthamine, respectively. The toxicity prediction revealed that none of the flavonoids presented toxicity and they all had good absorption parameters for the analyzed targets. Hence, these compounds can be considered as likely leads for drug improvement against the same.