Browsing by Author "Sahini, Mtabazi G."

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    Application Software for Water Quality Data Management (MajiBora-DM) in Tanzania
    (Water Institute, 2024) Bairo, Antoni M.; Elisadiki, Joyce; Sahini, Mtabazi G.; Vuai, Said A.
    In Tanzania, water quality laboratories face the difficult task of managing all of the processes involved in handling water samples. These tasks include registering samples, evaluating their quality, documenting critical parameters, analyzing data, making professional recommendations on water treatment solutions to achieve superior results, and creating comprehensive reports for clients. In this paper, the authors explain the development of the Majibora-DM program, a comprehensive tool for managing water quality data. The authors developed MajiBora-DM using the Python Integrated Development Environment (IDE), pyinstaller, and the Inno compiler, then tested it on a Windows operating system computer. It demonstrated the ability to register samples, allow data sharing among computers connected to the internet, record water quality parameters, analyze water quality, interpret data, and generate reports with water treatment approach recommendations. The software plays a crucial role by calculating the impact of chemical dosages on water quality parameters in water treatment plants, thereby recommending the most effective dosage to achieve the desired quality. Also, it can simplify water quality data analysis, allow real-time data sharing, generate water quality reports, and suggest the appropriate water treatment method using artificial intelligence to achieve clean and safe water for the intended use
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    Cation–P Interactions Drive Hydrophobic Self Assembly and Aggregation of Niclosamide in Water†
    (Royal Society of Chemistry, 2021-09-13) Vuai Said A. H.; Sahini, Mtabazi G.; Onoka, Isaac.; Kirurib, Lucy W.; Shadrack, Daniel M.
    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 p–p parallel and cation–p antiparallel clusters in water exist in a b-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.
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    In Silico Study of the Inhibition of SARS-COV-2 Viral Cell Entry by Neem Tree Extracts
    (ROYAL SOCIETY OF CHEMISTRY, 2021-07-03) Shadrack, Daniel M.; Vuai, Said. A.H.; Sahini, Mtabazi G.; Onoka, Isaac
    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.