Description
Cocktails Poster Session
Quinolinones are heterocyclic aromatic compounds with various pharmacological activities. Their importance has brought about the need for green synthetic methods [1]. Exploring greener pathways using an experimental trial and error approach is costly and hazardous hence computational investigations of the existing mechanistic pathways are an alternative [2]. This study focused on the...
Targeting Plasmodium falciparum aminoacyl tRNA synthetases (PfaaRSs) is one of the viable strategies to overcome multidrug-resistance in malaria parasites. In this study, we focused on Plasmodium falciparum isoleucyl tRNA synthetase (PfIleRS) by combining multiple in silico approaches and tools to identify potential modulators specific for PfIleRS from diverse South Africa Natural...
Protein–protein interactions, or PPIs, are a part of every biological activity and have been linked to a number of diseases, including cancer, infectious diseases, and neurological disorders. As such, targeting PPIs is considered a strategic and vital approach in the development of new medications. Nonetheless, the wide and flat contact interface makes it difficult to find small-molecule PP...
Batteries, supercapacitors, fuel cells, and capacitors stand out as the most promising electrochemical energy storage systems due to their attributes, including high energy density, minimal self-discharge, and the absence of a memory effect. The high-voltage spinel LiMn1.5Ni0.5O4 (LMNO) is highly regarded as a promising energy storage material for the next generation of lithium batteries due...
Introduction: The failures of wind turbine (WT) gearboxes have notably had a significant influence on the annual energy production obtainable from wind turbines, thus consequentially influencing the ability of wind farm developers to meet up with the expected amount of power sent to the national grid [1]. This has triggered a FEM approach for the failure investigation of this essential...
Several studies have been conducted to overcome the poor cycling stability, voltage fade, and low coulombic efficiency barriers in practical applications of Lithium manganese oxides. Transition metal doping (Ni) has been considered a suitable technique to enhance the stability of these materials. In this study, we employ a genetic algorithm to generate and identify new phases of Ni-doped...
ABSTRACT
The rising incidence of HIV-1 drug resistance poses a significant challenge to the efficacy of combination antiretroviral therapy (cART), particularly in Southern Africa and other regions globally [1]. The emergency of resistance to non-nucleotide reverse transcriptase inhibitors (NNRTIs) is especially concerning, as it threatens the long-term success of antiretroviral treatment...
Investigating the way in which therapeutic drugs interact with engineered nanoparticles (ENPs) is crucial for understanding the fate and behaviour of engineered nanoparticles in the human body. After the outbreak of COVID-19, drugs such as dexamethasone and hydroxychloroquine were suggested as viable candidates to combat the adverse effects of the disease. In this study, dispersion-corrected...
A naturally occurring xanthone, named 3,7-dihydroxy-1,2-dimethoxyxanthone was experimentally and computationally investigated for its anticancer activity. Single crystal X-ray diffraction (XRD) analysis revealed that the compound crystallizes in the triclinic space group P1. Vibrational frequencies, electronic properties, chemical reactivity descriptors, the molecular structure, and stability...
Glycyrrhizic acid (GA), a prominent triterpenoid saponin found in licorice root, exhibits diverse properties, particularly in the pharmaceutical and food industries. However, its gas phase reaction kinetics and mechanism remain unexplored, primarily because it is considered a typical, readily available, biobased, acidic fuel. This study probes the feasibility of its use as an alternative fuel...
The Fe-Al phase has variable compositions and temperatures; it is dominated by two ordered phases, respectively β2 and DO3, each of which has a wide compositional stability range. FeAl alloys have a good specific modulus, strength-to-weight ratio, and corrosion resistance to oxidation and other forms of corrosion. Because of these properties, FeAl alloy is an appealing contender for...
Shape memory alloys (SMAs) possess two unique properties, superelasticity and shape memory effect. These properties are a result of phase transformation. The SMAs have received great attention owing to their excellent mechanical properties, biocompatibility, corrosion resistance, and their ability to transform close to room temperature. High-temperature shape memory alloys (HTSMAs) are a...
