Towards attaining SDG 6: The opportunities available for capacitive deionization technology to provide clean water to the African population.

The unavailability of clean water caused by population growth, increased industrial activities, and global climate change is a major challenge in many communities. A number of desalination technologies including distillation, reverse osmosis and electrodialysis, have been used to supplement the available water resources. However, these technologies are energy intensive and demand a significant financial commitment. Capacitive deionization (CDI) is an emerging desalination technology which is promising to provide water at a reasonable cost, especially in societies with limited incomes such as those in Africa. The opportunities for CDI to provide clean water to the African population are discussed in this paper. These opportunities include electrosorption at low potential, low energy consumption, large quantities of agricultural wastes for the production of electrode materials, high sunshine irradiation throughout the year, suitability for disinfection and defluoridation and its applications in the removal of heavy metals and emerging pollutants. Due to the existence of numerous enabling conditions, the analysis from this paper demonstrates that CDI can be a dependable method to provide clean water in Africa.

Adsorption-capacitive deionization hybrid system with activated carbon of modified potential of zero charge.

In this study water solutions are desalinated with carbon electrodes of modified surface charges. The idea is to endow the electrodes with the ability to physically adsorb salt ions without applying potential so as to save energy. The modification enhanced to decrease the energy consumption of a newly invented adsorption-CDI hybrid system by 19%, since modified activated carbon cell consumed 0.620 (relative error 3.00%) kWh/m3 compared to pristine activated carbon cell which consumed 0.746 (relative error 1.20%) kWh/m3. Further analysis revealed high adsorption capacity of the modified activated carbon electrode cell which exhibited 9.0 (relative error 2.22%) compared to activated carbon cell with 5.3 (relative error 5.66%) mg g-1. These results show the potential of surface modification in adding value to low cost activated carbons for application in CDI.

Approaches to mitigation of hydrogen sulfide during anaerobic digestion process - A review.

Anaerobic digestion (AD) is the primary technology for energy production from wet biomass under a limited oxygen supply. Various wastes rich in organic content have been renowned for enhancing the process of biogas production. However, several other intermediate unwanted products such as hydrogen sulfide, ammonia, carbon dioxide, siloxanes and halogens have been generated during the process, which tends to lower the quality and quantity of the harvested biogas. The removal of hydrogen sulfide from wastewater, a potential substrate for anaerobic digestion, using various technologies is covered in this study. It is recommended that microaeration would increase the higher removal efficiency of hydrogen sulfide based on a number of benefits for the specific method. The process is primarily accomplished by dosing smaller amounts of oxygen in the digester, which increases the system's oxidizing capacity by rendering the sulfate reducing bacteria responsible for converting sulfate ions to hydrogen sulfide inactive. This paper reviews physicochemical and biological methods that have been in place to eliminate the effects of hydrogen sulfide from wastewater treated anaerobically and future direction to remove hydrogen sulfide from biogas produced.

Chemical profiling of Cannabis sativa from eleven Tanzanian regions.

The aim of this research was to investigate the chemical profiles of Cannabis sativa from 11 Tanzanian regions using preliminary tests as well as instrumental analyses with GC-MS and LC-MS. Generally, all the seized samples tested positive for the presence of (Δ9-THC. The preliminary test with Duquenois method followed by chloroform addition revealed the presence of Δ9-tetrahydrocannabinol (Δ9-THC) in all the samples. GC-MS analyses of the samples revealed the presence of nine cannabinoids including Δ9-THC, Δ8-THC, cannabidivarol, cannabidiol, Δ9-tetrahydrocannabivarin (Δ9-THCV), cannabichromene, cannabinol, caryophyllene, and cannabicouramaronone, whereas LC-MS chemical profiling revealed the presence 24 chemical substances, including 4 cannabinoids, 15 different types of drugs and 5 amino acids. The Pwani region had the highest percentage composition of Δ9-THC (13.45%), the main psychoactive ingredient of Cannabis sativa, followed by Arusha (10.92%) and Singida (10.08%). The sample from Kilimanjaro had the lowest percentage of Δ9-THC (6.72%). Apart from cannabinoids, the majority of other chemical substances were found in the Dar es Salaam region sample, which could be attributed to the fact that the city is the epicenter of business rather than the cultivation area, implying that the samples were obtained from different sources and blended as a single package.

Relaxed complex scheme and molecular dynamics simulation suggests small molecule inhibitor of human TMPRSS2 for combating COVID-19.

As the coronavirus disease 19 (COVID-19) pandemic continues to pose a health and economic crisis worldwide, the quest for drugs and/or vaccines against the virus continues. The human transmembrane protease serine 2 (TMPRSS2) has attracted attention as a target for drug discovery, as inhibition of its catalytic reaction would result in the inactivation of the proteolytic cleavage of the SARS-CoV-2 S protein. As a result, the inactivation prevents viral cell entry to the host's cell. In this work, we screened and identified two potent molecules that interact and inhibit the catalytic reaction by using computational approaches. Two docking screening experiments were performed utilizing the crystal structure and holo ensemble structure obtained from molecular dynamics in bound form. There is enhancement and sensitivity of docking results to the holo ensemble as compared to the crystal structure. Compound 1 demonstrated a similar inhibition value to nafamostat by interacting with catalytic triad residues His296 and Ser441, thereby disrupting the already established hydrogen bond interaction. The stability of the ligand-TMPRSS2 complexes was studied by molecular dynamics simulation, and the binding energy was re-scored by using molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) binding free energy. The obtained compounds may serve as an initial point toward the discovery of potent TMPRSS2 inhibitors upon further in vivo validation.Communicated by Ramaswamy H. Sarma.

Cation-π interactions drive hydrophobic self-assembly and aggregation of niclosamide in water.

The beneficial medicinal effects of niclosamide have been reported to be hampered by poor aqueous solubility and so a higher concentration dosage is required. In this work, we have studied the aggregation properties of niclosamide in water by varying the number of monomers. We have employed all-atom classical molecular dynamics simulation in order to explore such properties. The equilibrium structure exists in an aggregated state with structural rearrangements of the stacking units. Niclosamide monomers tend to form clusters in an orderly manner and tend to aggregate in parallel and antiparallel orientations of the phenyl rings as the monomers are increased in number from 4 to 9. Upon increasing the size from 9 to 14, and from 49 to 150, a considerable dominance of the metastable parallel arrangement is observed, resulting in the formation of a closely packed cluster with hydrophobic contacts. The metastable conformation self-arranges to a T-shape before forming a stable planar antiparallel displaced conformation. The aggregated π-π parallel and cation-π antiparallel clusters in water exist in a ß-conformer. We further observed that formation of a stable cluster aggregate entails the formation of an intermediate metastable cluster that disperses in solution forming a large stable cluster. We also discovered that movement of the water is faster in less aggregated clusters and as the cluster size increases, the mobility rate becomes much slower.

In silico study of the inhibition of SARS-COV-2 viral cell entry by neem tree extracts.

The outbreak of COVID-19, caused by SARS-COV-2, is responsible for higher mortality and morbidity rates across the globe. Until now, there is no specific treatment of the disease and hospitalized patients are treated according to the symptoms they develop. Efforts to identify drugs and/or vaccines are ongoing processes. Natural products have shown great promise in the treatment of many viral related diseases. In this work, using in silico methods, bioactive compounds from the neem tree were investigated for their ability to block viral cell entry as spike RBD-ACE2 inhibitors. Azadirachtin H, quentin and margocin were identified as potential compounds that demonstrated viral cell entry inhibition properties. The structural re-orientation of azadirachtin H was observed as the mechanism for viral cell entry inhibition. These compounds possessed good pharmacodynamic properties. The proposed molecules can serve as a starting point towards developing effective anti-SARS-COV-2 drugs targeting the inhibition of viral cell entry upon further in vitro and in vivo validation.