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Exploring Ubuntu as service leadership competency
Get PDFThis is a case study conducted in the Methodist Church of Southern Africa (MCSA), Grahamstown, in the Eastern Cape. Against the backdrop of identifying and conceptualising ethically oriented leadership competencies, the purpose of this study was to explore service as a leadership competency. The literature reviewed in this research underscored the importance of effective and ethical leadership, but critiqued the Westernised, individualistic orientation of the conceptualisation of service as a leadership competency. Based on a review of the literature, this study proposes that when African leaders are in leadership four components of Ubuntu are involved when they exercise service as a leadership competency. These components are collective consideration, collective compassion, community server and Ubuntu humility. The main aim of this study is to investigate if leaders display these four components when exercising service towards their followers, and if so, how, and why they do so. A conceptual framework of components of Ubuntu, which culminated in research themes and propositions, were produced from the literature chapter. A qualitative research method was adopted in this study in which eight participants were selected through convenience sampling for this case study. One minister and seven Vice-Presidents of various organisations in the Methodist Church were interviewed. Semi-structured interviews were conducted for data collection and a deductive thematic analysis approach was employed to analyse data. Also, the critical incident technique (CIT) was utilised to structure interview questions, which is best fitting to solicit complex and comprehensive data from the interviewees. In its findings, the study confirmed the presence of the four components of Ubuntu, but several delimitations and limitations are acknowledged. Nevertheless, the study has made some contribution to understanding the display of service as a leadership competency in an African context. The implications for management practice are considered and recommendations made for future research.Thesis (MBA) -- Faculty of Commerce, Rhodes Business School, 202
Stock structure of Patagonian toothfish Dissostichus eleginoides (Smitt 1898, family Nototheniidae) in the Southwest Atlantic
Get PDFThe identification of discrete self-sustaining productive units in marine populations is essential for achieving sustainable fisheries objectives. Marine fish populations frequently exhibit dynamic characteristics across their life-histories, displaying variability in spatial structure and mixing patterns, both within and among populations. The incoherent application of management boundaries on biological populations can bias stock assessment results and have important implications on sustainable fisheries management. Patagonian toothfish (Dissostichus eleginoides) is a long-lived, slow-growing, late-maturing, deep-sea, benthopelagic species. It forms the basis of important and highly lucrative industrial and artisanal fisheries across its distribution. Patagonian toothfish have complex life-histories characterised by high dispersal potential during the egg and larval phase, a wide depth range because of their ontogenetic migratory behaviour, and large adult size that is capable of undertaking long-distance active movements (>200 km). These characteristics provide opportunities for high levels of connectivity, and as such, the stock structure is not well understood. We applied an integrated, multidisciplinary approach to provide an improved understanding of the complex stock structure dynamics for Patagonian toothfish on the Patagonian Shelf, specifically in relation to the shelf, slope, and deep-sea plains around the Falkland Islands. Research results were focused on aspects pertaining to (1) geographic variation in phenotypic characters (otolith shape); (2) a description of the spatial-temporal distribution patterns; (3) the active movements of deep-sea adults (tag-recapture study); and (4) the identification of early life-history dispersal through otolith microstructure and microchemical chronologies. Results from the study indicate high regional connectivity during the early life-history stages derived from at least two spawning contingents into spatially discrete nursery areas (cohort groups) on the Falklands Shelf. Fish followed distinct ontogenetic pathways into deeper waters adjacent to the areas wherein juvenile settlement into a demersal habitat occurred. There is little to no evidence of mixing among cohort groups during their ontogenetic migration into deep-sea adult habitats, reflecting a mixed population based on oceanographically defined egg and larval dispersal. The majority of the adult component of the population continue to display high site fidelity. However, between 9 and 25% of the population, consisting predominantly of larger reproductively capable adults undertake long-distance dispersal behaviour, identified as home-range relocations from the adult deep-sea habitats towards three of the known southern spawning grounds in the region. Results are suggestive of a requirement for improved collaborative efforts for regionally-based management approaches with careful consideration of local stock contingents. Future monitoring and research priorities should focus on the identification of reproductive potential, dispersal pathways and settlement patterns of stock contingents to inform the dynamics of mixed stock origins across the Patagonian region. While many aspects regarding the stock structure remain unresolved, results derived from the current studies can be used to inform the development of management measures to ensure the continued recovery and sustainable management of Patagonian toothfish within the region.Thesis (PhD) -- Faculty of Science, Ichthyology and Fisheries Science, 202
Identification of selective novel hits against Mycobacterium tuberculosis KasA potential allosteric sites using bioinformatics approaches
Get PDFTuberculosis (TB) is a global health threat that has led to approximately 1.5 million deaths annually. According to the World Health Organization (WHO), TB is among the top ten deadly diseases and is the leading cause of death due to a single infectious agent. The main challenge in the effective treatment and control of TB is the ongoing emergence of resistant strains of Mycobacterium tuberculosis (Mtb) which lead to multi-drug resistant (MDR) and extensive-drug resistant (XDR) TB. Hence, the identification and characterization of novel drug targets and drugs that modulate the activity of the pathogen are an urgent priority. The current situation even necessitates the reengineering or repurposing of drugs in order to achieve effective control. The β-ketoacyl-acyl carrier protein synthase I (KasA) of Mycobacterium tuberculosis is an essential enzyme in the mycobacterial fatty acid synthesis (FAS-II) pathway and is believed to be a promising target for drug discovery in TB. It is one of the five main proteins of the FAS-II pathway and catalyzes a key condensation reaction in the synthesis of meromycolate chains, the precursors of mycolic acids involved in cell wall formation. Although this protein has been extensively studied, little research has been devoted to the allosteric inhibition of potential drug compounds. The main aim of this research was to identify the allosteric sites on the protein that could be involved in the inhibition of substrate binding activities and novel drug compounds that bind to these sites by use of in-silico approaches. The bioinformatics approaches used in this study were divided into four main objectives namely identification of KasA homolog sequences, sequence analysis and protein characterization, allosteric site search and lastly virtual screening of DrugBank compounds via molecular docking. Fifteen homolog sequences were identified from the BLASTP analysis and were derived from bacteria, fungi and mammals. In order to discover important residues and regions within the KasA proteins, sequence alignment, motif analysis and phylogenetic studies were performed using Mtb KasA as a reference. Sequence alignment revealed conserved residues in all KasA proteins that have functional importance such as the catalytic triad residues (Cys171, His311 and His345). Motif analysis identified 18 highly conserved motifs within the KasA proteins with structural and functional roles. In addition, motifs unique to the Mtb KasA protein were also identified and explored for inhibitor drug design purposes. Phylogenetic analysis of the homolog sequences showed a distinct clustering of prokaryotes and eukaryotes. A distinctive clustering was also observed for species belonging to the same genus. Since the mechanism of action of most drugs involves the active site, allosteric site search was conducted on Mtb KasA and the human homolog protein using a combination of pocket detection algorithms with the aim of identifying sites that could be utilized in allosteric modulator drug discovery. This was followed by the virtual screening of 2089 FDA approved DrugBank compounds against the entire protein surfaces of Mtb KasA and Hsmt KasA, performed via molecular docking using AutoDock Vina. Screening of the compounds was based on the binding energies, with more focus on identifying ligands that bound exclusively to the acyl-binding tunnel of Mtb KasA. This reduced the data set to 27 promising drug compounds with a relatively high binding affinity for Mtb KasA, however, further experiments need to be performed to validate this result. Among these compounds were DB08889, DB06755, DB09270, DB11226, DB00392, DB12278, DB08936, DB00781, DB13720 and DB00392, which displayed relatively low binding energies for Mtb KasA when compared to the human homolog protein.Thesis (MSc) -- Faculty of Science, Biochemistry and Microbiology, 202
A co-constructed understanding of teachers’ experiences in a community of practice within a community-university engagement project
Get PDFAbstract.Thesis (MSc) -- Faculty of Education, 202
Characterisation of two novel ferrocenyl benzoxazines as in vitro triple-negative breast cancer inhibitors
No full textThesis access embargoed. Expected released date early 2025.Thesis (PhD) -- Faculty of Science, Biochemistry and Microbiology, 202
In silico substrate binding profiling for SARS-COV-2 main protease (mpro) using hexapeptide substrates
Get PDFCOVID-19, as a disease resulting from SARS-CoV-2 infection, and a pandemic has had a devastating effect on the world. There are limited effective measures that control the spread and treatment of COVID-19 illness. The homodimeric cysteine main protease (Mpro) is crucial to the life cycle of the virus, as it cleaves the large polyproteins 1a and 1ab into matured, functional non-structural proteins. The Mpro exhibits high degrees of conservation in sequence, structure and specificity across coronavirus species, making it an ideal drug target. The Mpro substrate-binding profiles remain, despite the resolution of its recognition sequence and cleavage points (Leu-Gln↓(Ser/Ala/Gly)). In this study, a series of hexapeptide sequences containing the appropriate recognition sequence and cleavage points were generated and screened against the Mpro to study these binding profiles, and to further be the basis for efficiency-driven drug design. A multi-conformer hexapeptide substrate library comprising optimised 81000 models of 810 unique sequences was generated using RDKit within the context of python. Terminal capping with ACE and NMe was effected using SMILES and SMARTS matching. Multiple hexapeptides were complexed with chain B of crystallographic Mpro (PDS ID: 6XHM), following the validation of chain B for this purpose using AutoDock Vina at high levels of exhaustiveness (480). The resulting Vina scores ranged between -8.7 and -7.0 kcal.mol-1, and the reproducibility of best poses was validated through redocking. Ligand efficiency indices were calculated to identify substrate residues with high binding efficiency at their respective positions, revealing Val (P3), Ala (P1′); and Gly and Ala (P2′ and P3′) as leading efficient binders. Binding efficiencies were lowered by molecular weight. Substrate recognition was assessed by mapping of binding subsites, and Mpro specificity was evaluated through the resolution of intermolecular interaction at the binding interface. Molecular dynamics simulations for 20 ns were performed to assess the stability and behaviour of 132 Mpro systems complexed with KLQ*** substrates. Principal component analysis (PCA), was performed to assess II protein motions and conformational changes during the simulations. A strategy was formulated to classify and evaluate relations in the Mpro PCA motions, revealing four main clades of similarity. Similarity within a clade (Group 2) and dissimilarity between clades were confirmed. Trajectory visualisation revealed complex stability, substrate unbinding and dimer dissociation for various Mpro systems.Thesis (MSc) -- Faculty of Science, Biochemistry and Microbiology, 202
Bioactivity evaluation of manno-oligosaccharides produced from spent coffee grounds using a Bacillus sp. derived endo-1,4-β-mannanase
No full textThesis embargoed. Possible release date set for early 2024.Thesis (MSc) -- Faculty of Science, Biochemistry and Microbiology, 202
Drifting towards death: a South African patient safety incident through an HFE Systems lens
Get PDFPatient Safety Incidents (PSI) are a frequent occurrence within the South African public healthcare system wherein a patient is unnecessarily maimed, harmed, killed, or put through significant trauma, emotional or physical. These incidents have a significant impact on the performance of the system and the well-being of individuals involved. Often PSI are the result of multiple system failings that provide the necessary preconditions for the PSI to occur. Thus, to provide appropriate patient safety recommendations to address and aid in the prevention of future PSI it is necessary to apply a systems approach to PSI analysis. A systems approach supports a ‘bigger picture’ view of an incident which includes looking beyond the immediate causes of a PSI and taking the different levels of the healthcare system into consideration during incident analysis. Human Factors and Ergonomics (HFE) is at its core a systems discipline and has been successfully applied to multiple fields including healthcare. HFE offers multiple incident analysis tools grounded in systems theory. The Life Esidimeni incident, a PSI that resulted in the death of 144 MHCU, is the biggest PSI in recent South African history and is therefore an important potential case study for the application of HFE systems tools within the South African healthcare context (an area that is lacking in existing literature). The objectives of this research were to (i) Systematically uncover the causal factors that led to the outcome of the of the Life Esidimeni incident; (ii) Identify critical faults, and gaps within the healthcare system that led to the Life Esidimeni PSI; and (iii) Provide proactive recommendations for future prevention of PSI. To fulfil these objectives a descriptive case study research method design was adopted using a qualitative systems-based tool, AcciMap. The application of AcciMap to Life Esidimeni enabled both the sharp end and blunt end causal factors that contributed to the outcome of the incident to be identified. Importantly this provided insight into the critical faults and gaps of the South African public healthcare system. The results of the AcciMap indicated that there were four main broad systemic faults in the system. These broad areas were categorized as key themes, which include: (i) competency, (ii) safeguards, (iii) time pressures, and (iv) vertical integration. From these key themes recommendations aimed at addressing the critical faults and gaps in the system and preventing future PSI were made.Thesis (MSc) -- Faculty of Science, Human Kinetics and Ergonomics, 202
Ecosystem for 4th industrial revolution to accelerate sustainable development goals in the South Africa’,‘n context: a conceptual framework
Get PDFContextualizing technology and digitalization in a period of having to meet sustainable development goals (SDGs), requires a paradigm shift which calls for collaboration from multiple stakeholders. The current turbulent environment requires an investigation into ways of adopting the Fourth Industrial Revolution (4IR) as a pertinent mechanism for accelerating sustainable development goals. The need to formulate a conceptual framework and adapt it to the South African context, requires careful mapping of the elements of 4IR, the relevant infrastructure and resources There has been perceptions instigating resistance towards the SDGs, hence the need to develop the conceptual framework. The exploratory research method fitted well as its nature a systematic review to effect and respond to the abovementioned investigation. The study reviewed about 70 articles of which 53 of those were peerreviewed articles within 4th industrial revolution in South Africa as set for ecosystem. Due to limited research on the topic, possible impacting variables that added immeasurable value were explored as contributing factors the study. Both reviewed literature and government archive on 4th industrial revolution revealed how the ecosystems of 4IR accelerated the achievement of SDGs in South Africa. The study further singled smart factories, smart cities, integrated systems, green technologies, cybernetics, the internet of people, the internet of energy, and the internet of things as contributing factors towards 4IR. The recommended the applicability of the ecosystems onto the South African context to advance innovation agenda to achieve green energy, sustainable water provision, waste management, trade in low-carbon products, cleaner and greener technologies, green buildings, green chemistry and sustainable transport, as well as improved air quality
A multiscale ONIOM study of the buckminsterfullerene (C60) Diels–Alder reaction: from model design to reaction path analysis
Get PDFThe hybrid ONIOM (Our own N-layered Integrated molecular Orbital and molecular Mechanics) formalism is employed to investigate the Diels–Alder reaction of the buckminsterfullerene C60. Our computa-tions suggest that the ONIOM2(M06-2X/6-31G(d): SVWN/STO3G) mod-el, enclosing both the diene and the pyracyclene fragment of C60 in the higher-layer, provides a reasonable trade-of between accuracy and computational cost as it comes to predicting reaction energetics. Moreover, the frontier molecular orbital (FMO) theory and activation strain model (ASM) are jointly relied on to rationalize the efect of –OH and –CN substituents on the activation barrier of this reaction. Finally, reaction paths are scrutinized to get insight into the various forces un-derpinning the process of cycloadduct formation