Browsing by Author "Swai, Hulda"

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    Luteolin: a blocker of SARS-CoV-2 cell entry based on relaxed complex scheme, molecular dynamics simulation, and metadynamics
    (Springer, 2021) Shadrack, Daniel M.; Deogratias, Geradius; Kiruri, Lucy W.; Onoka, Isaac; Vianne, John-Mary; Swai, Hulda; Nyandoro, Stephen S.
    Natural products have served human life as medications for centuries. During the outbreak of COVID-19, a number of naturally derived compounds and extracts have been tested or used as potential remedies against COVID-19. Tetradenia riparia extract is one of the plant extracts that have been deployed and claimed to manage and control COVID-19 by some communities in Tanzania and other African countries. The active compounds isolated from T. riparia are known to possess various biological properties including antimalarial and antiviral. However, the underlying mechanism of the active compounds against SARS-CoV-2 remains unknown. Results in the present work have been interpreted from the view point of computational methods including molecular dynamics, free energy methods, and metadynamics to establish the related mechanism of action. Among the constituents of T. riparia studied, luteolin inhibited viral cell entry and was thermodynamically stable. The title compound exhibit residence time and unbinding kinetics of 68.86 ms and 0.014 /ms, respectively. The findings suggest that luteolin could be potent blocker of SARS-CoV-2 cell entry. The study shades lights towards identification of bioactive constituents from T. riparia against COVID-19, and thus bioassay can be carried out to further validate such observations.
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    Optimization of solvothermal liquefaction of water hyacinth over PTFE-acid mediated kaolin catalyst for enhanced biocrude production
    (Elsevier BV, 2024) Kariim, Ishaq; Bakari, Ramadhani; Waidi, Yusuf Olatunji; Kazmi, Wajahat Waheed; Malla, Sunita Kumari; Park, Ji-Yeon; Syed, Muhammad Wasi; Bhatti, Ali Hassan; Omer, Ahmed; Swai, Hulda; Lee, In-Gu; Kivevele, Thomas
    The invasive nature of water hyacinth and the need for renewable energy sources have necessitated this research. Catalyst development through enhanced pore structure and process parameters optimization are requirements for effective mass transport during the biomass valorization and improved biocrude formation during solvothermal liquefaction process. In this present study, the effects of temperature (250–340 °C), residence time (10–20 min) and catalyst loading (10–13 wt%) on biocrude, biochar, gas yield, and biomass conversion were optimized using a Box-Behnken experimental design. The developed catalyst through the application of polytetrafluoroethylene (PTFE) for pore structure enhancement was characterized using SEM, BET and XRD techniques. The process optimization found maximum biocrude yield (32.0 wt%), minimum biochar yield (19.4 wt%) and maximum conversion efficiency (80.6%) at 340 °C, 20 min residence time, and 13 wt% catalyst loading. The GC-MS result of the biocrude produced at the optimum conditions (13 wt% catalyst loading) consists of ketones (32.2%), acids (22.3%) and had 65.2% carbon, 7.3% hydrogen, HHV of 29.4 MJ/kg and H/C ratio of 1.34 while an increment in catalyst loading of 20 wt% enhanced the overall biocrude properties with HHV of 35.50 MJ/kg. This result depicts the suitability of the PTFE modified acid treated kaolin for high quality biocrude production through valorization of water hyacinth into a candidate for renewable energy material.