A 150 MHz all sky survey with the Precision Array to Probe the Epoch of Reionization
- Authors: Chege, James Kariuki
- Date: 2020
- Subjects: Epoch of reionization -- Research , Astronomy -- Observations , Radio interferometers
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/117733 , vital:34556
- Description: The Precision Array to Probe the Epoch of Reionization (PAPER) was built to measure the redshifted 21 cm line of hydrogen from cosmic reionization. Such low frequency observations promise to be the best means of understanding the cosmic dawn; when the first galaxies in the universe formed, and also the Epoch of Reionization; when the intergalactic medium changed from neutral to ionized. The major challenges to these observations is the presence of astrophysical foregrounds that are much brighter than the cosmological signal. Here, I present an all-sky survey at 150 MHz obtained from the analysis of 300 hours of PAPER observations. Particular focus is given to the calibration and imaging techniques that need to deal with the wide field of view of a non-tracking instrument. The survey covers ~ 7000 square degrees of the southern sky. From a sky area of 4400 square degrees out of the total survey area, I extract a catalogue of sources brighter than 4 Jy whose accuracy was tested against the published GLEAM catalogue, leading to a fractional difference rms better than 20%. The catalogue provides an all-sky accurate model of the extragalactic foreground to be used for the calibration of future Epoch of Reionization observations and to be subtracted from the PAPER observations themselves in order to mitigate the foreground contamination.
- Full Text:
- Date Issued: 2020
- Authors: Chege, James Kariuki
- Date: 2020
- Subjects: Epoch of reionization -- Research , Astronomy -- Observations , Radio interferometers
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/117733 , vital:34556
- Description: The Precision Array to Probe the Epoch of Reionization (PAPER) was built to measure the redshifted 21 cm line of hydrogen from cosmic reionization. Such low frequency observations promise to be the best means of understanding the cosmic dawn; when the first galaxies in the universe formed, and also the Epoch of Reionization; when the intergalactic medium changed from neutral to ionized. The major challenges to these observations is the presence of astrophysical foregrounds that are much brighter than the cosmological signal. Here, I present an all-sky survey at 150 MHz obtained from the analysis of 300 hours of PAPER observations. Particular focus is given to the calibration and imaging techniques that need to deal with the wide field of view of a non-tracking instrument. The survey covers ~ 7000 square degrees of the southern sky. From a sky area of 4400 square degrees out of the total survey area, I extract a catalogue of sources brighter than 4 Jy whose accuracy was tested against the published GLEAM catalogue, leading to a fractional difference rms better than 20%. The catalogue provides an all-sky accurate model of the extragalactic foreground to be used for the calibration of future Epoch of Reionization observations and to be subtracted from the PAPER observations themselves in order to mitigate the foreground contamination.
- Full Text:
- Date Issued: 2020
The role of northwest striking structures in controlling highgrade ore shoots at the Syama Gold Mine, Mali, West Africa
- Authors: Soro, Ali
- Date: 2020
- Subjects: Syama Gold Mine , Gold ores -- Geology -- Mali , Veins (Geology) -- Mali
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/145209 , vital:38418
- Description: This study intended to investigate the relationship between the NW striking structures and the high-grade ore shoots at the Syama gold mine in Mali, West Africa. All structural data collected since 1987 from drill core have been integrated to allow the interpretation and modelling of these NW-SE structures. The structures collected were grouped into three main groups; foliations/shears/faults, veins and joints/contacts/fractures. Micromine software was used to plot the structures, printed out on A3 paper and interpreted manually using tracing paper. Analysis and interpretation of stereographic plots has shown that the majority of the high-grade zones are generally located at the intersection of the NNE structures and the NW structures. The observed cross-cutting relationship between the NNE and the NW structures suggests two different generation of faults. It is suggested that the NW structures were active during the D4 deformation event (Standing, 2007) and have played a role in reactivating earlier (D3) NNE structures, allowing greater fluid flow and enhancing the gold grade. These zones are mainly defined by brecciation and stockwork veining. The E-W structures are believed to be the latest and are attributed to the D5 event. Although gold mineralisation is grossly controlled by the NNE structures, the NW structures need to be considered as major gold enrichment upgrading factors at Syama. It is therefore strongly recommended that ongoing exploration at Syama specifically target the intersection of the NW and NNE structures as favourable zones for high-grade mineralisation.
- Full Text:
- Date Issued: 2020
- Authors: Soro, Ali
- Date: 2020
- Subjects: Syama Gold Mine , Gold ores -- Geology -- Mali , Veins (Geology) -- Mali
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/145209 , vital:38418
- Description: This study intended to investigate the relationship between the NW striking structures and the high-grade ore shoots at the Syama gold mine in Mali, West Africa. All structural data collected since 1987 from drill core have been integrated to allow the interpretation and modelling of these NW-SE structures. The structures collected were grouped into three main groups; foliations/shears/faults, veins and joints/contacts/fractures. Micromine software was used to plot the structures, printed out on A3 paper and interpreted manually using tracing paper. Analysis and interpretation of stereographic plots has shown that the majority of the high-grade zones are generally located at the intersection of the NNE structures and the NW structures. The observed cross-cutting relationship between the NNE and the NW structures suggests two different generation of faults. It is suggested that the NW structures were active during the D4 deformation event (Standing, 2007) and have played a role in reactivating earlier (D3) NNE structures, allowing greater fluid flow and enhancing the gold grade. These zones are mainly defined by brecciation and stockwork veining. The E-W structures are believed to be the latest and are attributed to the D5 event. Although gold mineralisation is grossly controlled by the NNE structures, the NW structures need to be considered as major gold enrichment upgrading factors at Syama. It is therefore strongly recommended that ongoing exploration at Syama specifically target the intersection of the NW and NNE structures as favourable zones for high-grade mineralisation.
- Full Text:
- Date Issued: 2020
Cyclooxygenase-1 as an anti-stroke target: potential inhibitor identification and non-synonymous single nucleotide polymorphism analysis
- Authors: Muronzi, Tendai
- Date: 2020
- Subjects: Cerebrovascular disease , Cerebrovascular disease -- Treatment , Cerebrovascular disease -- Chemotherapy , Cyclooxygenases , High throughput screening (Drug development) , Drug development , Molecular dynamics , South African Natural Compounds Database , ZINC database
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/143404 , vital:38243
- Description: Stroke is the third leading cause of death worldwide, with 87% of cases being ischemic stroke. The two primary therapeutic strategies to reduce post-ischemic brain damage are cellular and vascular approaches. The vascular strategy aims to rapidly re-open obstructed blood vessels, while the cellular approach aims to interfere with the signalling pathways that facilitate neuron damage and death. Unfortunately, popular vascular treatments have adverse side effects, necessitating the need for alternative chemotherapeutics. In this study, cyclooxygenase-1 (COX-1), which plays a significant role in the post- ischemic neuroinflammation and neuronal death, was targeted for identification of novel drug compounds and to assess the effect of nsSNPs on its structure and function. In a drug discovery part, ligands from the South African Natural Compounds Database (SANCDB-https://sancdb.rubi.ru.ac.za/) and ZINC database (http://zinc15.docking.org/) were used for high-throughput virtual screening (HVTS) against COX-1. Additionally, five nsSNPs were being investigated to assess their impact on protein structure and function. Three of these SNPs were in the COX-1 dimer interface. Molecular docking and molecular dynamics simulations revealed asymmetric nature of the protein. Several ligands, peculiar to each monomer, exhibited favourable binding energies in the respective active sites. SNP analysis indicated effects on inter-monomer interactions and protein stability.
- Full Text:
- Date Issued: 2020
- Authors: Muronzi, Tendai
- Date: 2020
- Subjects: Cerebrovascular disease , Cerebrovascular disease -- Treatment , Cerebrovascular disease -- Chemotherapy , Cyclooxygenases , High throughput screening (Drug development) , Drug development , Molecular dynamics , South African Natural Compounds Database , ZINC database
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/143404 , vital:38243
- Description: Stroke is the third leading cause of death worldwide, with 87% of cases being ischemic stroke. The two primary therapeutic strategies to reduce post-ischemic brain damage are cellular and vascular approaches. The vascular strategy aims to rapidly re-open obstructed blood vessels, while the cellular approach aims to interfere with the signalling pathways that facilitate neuron damage and death. Unfortunately, popular vascular treatments have adverse side effects, necessitating the need for alternative chemotherapeutics. In this study, cyclooxygenase-1 (COX-1), which plays a significant role in the post- ischemic neuroinflammation and neuronal death, was targeted for identification of novel drug compounds and to assess the effect of nsSNPs on its structure and function. In a drug discovery part, ligands from the South African Natural Compounds Database (SANCDB-https://sancdb.rubi.ru.ac.za/) and ZINC database (http://zinc15.docking.org/) were used for high-throughput virtual screening (HVTS) against COX-1. Additionally, five nsSNPs were being investigated to assess their impact on protein structure and function. Three of these SNPs were in the COX-1 dimer interface. Molecular docking and molecular dynamics simulations revealed asymmetric nature of the protein. Several ligands, peculiar to each monomer, exhibited favourable binding energies in the respective active sites. SNP analysis indicated effects on inter-monomer interactions and protein stability.
- Full Text:
- Date Issued: 2020
Molecular and morphological approaches reveal hidden diversity in the genus hippopotamyrus pappenheim, 1906 (teleostei: mormyridae) in southern Africa
- Authors: Mutizwa, Tadiwa, Isaac
- Date: 2020
- Subjects: Uncatalogued
- Language: English
- Type: thesis , text , Masters , MSc
- Identifier: http://hdl.handle.net/10962/164546 , vital:41128
- Description: Thesis (MSc)--Rhodes University, Faculty of Science, Department of Icthyology and Fisheries Science, 2020
- Full Text:
- Date Issued: 2020
- Authors: Mutizwa, Tadiwa, Isaac
- Date: 2020
- Subjects: Uncatalogued
- Language: English
- Type: thesis , text , Masters , MSc
- Identifier: http://hdl.handle.net/10962/164546 , vital:41128
- Description: Thesis (MSc)--Rhodes University, Faculty of Science, Department of Icthyology and Fisheries Science, 2020
- Full Text:
- Date Issued: 2020
Molecular simulations of potential agents and targets of Alzheimer’s disease
- Authors: Joli, Luxolo
- Date: 2020
- Subjects: Alzheimer's disease -- Chemotherapy , Alzheimer's disease -- Treatment , Ligands (Biochemistry) , Proteins -- Chemistry , Molecular dynamics -- Simulation methods
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/146411 , vital:38523
- Description: Alzheimer's Disease (AD) is a neurodegenerative brain disorder that was first discovered in 1901 by Dr Aloïs Alzheimer and was later reported publicly in 1906. The German doctor had a 51-yearold woman patient called Auguste Deter, who was suffering from a rare brain disorder with early signs of memory loss and cognition. Alzheimer's Disease is the most common type of dementia that affects people with the age of 65 years and older. There is no single known cause of Alzheimer’s disease however, amyloid β-peptide (Aβ1–40/42) was found to be at the centre of AD pathogenesis and this connection was referred as “amyloid hypothesis”. It is suspected that an accumulation of amyloid β-peptide is a major contributor to neuronal dysfunction and degeneration. Alzheimer’s disease is complex and therefore, currently there is no medication available that treats the disease. However, there are approaches that focus on helping people maintain mental function, manage behavioral symptoms, and slow down the symptoms of disease. According to South Africa’s 2011 census, there are approximately 2.2 million people in South Africa with some form of dementia and therefore there is a need to find a treatment for the disease. This study aims to find agents and targets of Alzheimer’s Disease by using different computational techniques such as molecular modelling. The study will use compounds from the South African Compounds Database (SANCDB) and the following therapeutic targets α-, β- and γ-secretase, acetylcholinesterase, tau protein and neprilysin. A successful High-throughput Virtual Screening (HTVS) study to determine lead compounds was performed using a computational program called KNIME. Molecular docking was achieved with GLIDE as it allows for exhaustive ligand flexibility. The docking calculations were carried out using the high level of precision XP (extra precision) for enhanced docking accuracy. The binding affinities (docking scores) for the best bound ligands obtained from docking were in the order of -5 kcal/mol or less. The ligandSANC00370 was the best binding ligand against the protein 1J1C_B and had the best binding energy of -13.94 kcal/mol compared to others. The receptor-ligand complexes were analyzed using the interaction diagrams obtained from the Discovery Studio Visualizer and Maestro programs. Molecular Dynamics simulations were performed on the complexes obtained from docking to help in optimizing their interactions. The simulations were performed using the Desmond tool with the OPLS3 force field. 100 ns simulations were performed for six systems with the best docking score results epresenting each of the therapeutic targets and for the other complex systems, 50 ns simulations were performed. The Desmond simulations were analyzed using the Simulations Interaction Diagrams such as PL-RMSD, L-RMSF, P-RMSF, L-Torsions, P-SSE, LP-Contacts and L-Properties. Maestro was used to visualize the stability of the ligands in the active site during the simulation. All 13 Desmond simulations were successful however, there were 9 simulations which produced satisfactory results while the others were nsatisfactory. Based on the molecular docking and Molecular Dynamics results of this study, 9 potential targets and 6 potential agents were obtained successfully and can be studied further as therapeutics for Alzheimer’s Disease.
- Full Text:
- Date Issued: 2020
- Authors: Joli, Luxolo
- Date: 2020
- Subjects: Alzheimer's disease -- Chemotherapy , Alzheimer's disease -- Treatment , Ligands (Biochemistry) , Proteins -- Chemistry , Molecular dynamics -- Simulation methods
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/146411 , vital:38523
- Description: Alzheimer's Disease (AD) is a neurodegenerative brain disorder that was first discovered in 1901 by Dr Aloïs Alzheimer and was later reported publicly in 1906. The German doctor had a 51-yearold woman patient called Auguste Deter, who was suffering from a rare brain disorder with early signs of memory loss and cognition. Alzheimer's Disease is the most common type of dementia that affects people with the age of 65 years and older. There is no single known cause of Alzheimer’s disease however, amyloid β-peptide (Aβ1–40/42) was found to be at the centre of AD pathogenesis and this connection was referred as “amyloid hypothesis”. It is suspected that an accumulation of amyloid β-peptide is a major contributor to neuronal dysfunction and degeneration. Alzheimer’s disease is complex and therefore, currently there is no medication available that treats the disease. However, there are approaches that focus on helping people maintain mental function, manage behavioral symptoms, and slow down the symptoms of disease. According to South Africa’s 2011 census, there are approximately 2.2 million people in South Africa with some form of dementia and therefore there is a need to find a treatment for the disease. This study aims to find agents and targets of Alzheimer’s Disease by using different computational techniques such as molecular modelling. The study will use compounds from the South African Compounds Database (SANCDB) and the following therapeutic targets α-, β- and γ-secretase, acetylcholinesterase, tau protein and neprilysin. A successful High-throughput Virtual Screening (HTVS) study to determine lead compounds was performed using a computational program called KNIME. Molecular docking was achieved with GLIDE as it allows for exhaustive ligand flexibility. The docking calculations were carried out using the high level of precision XP (extra precision) for enhanced docking accuracy. The binding affinities (docking scores) for the best bound ligands obtained from docking were in the order of -5 kcal/mol or less. The ligandSANC00370 was the best binding ligand against the protein 1J1C_B and had the best binding energy of -13.94 kcal/mol compared to others. The receptor-ligand complexes were analyzed using the interaction diagrams obtained from the Discovery Studio Visualizer and Maestro programs. Molecular Dynamics simulations were performed on the complexes obtained from docking to help in optimizing their interactions. The simulations were performed using the Desmond tool with the OPLS3 force field. 100 ns simulations were performed for six systems with the best docking score results epresenting each of the therapeutic targets and for the other complex systems, 50 ns simulations were performed. The Desmond simulations were analyzed using the Simulations Interaction Diagrams such as PL-RMSD, L-RMSF, P-RMSF, L-Torsions, P-SSE, LP-Contacts and L-Properties. Maestro was used to visualize the stability of the ligands in the active site during the simulation. All 13 Desmond simulations were successful however, there were 9 simulations which produced satisfactory results while the others were nsatisfactory. Based on the molecular docking and Molecular Dynamics results of this study, 9 potential targets and 6 potential agents were obtained successfully and can be studied further as therapeutics for Alzheimer’s Disease.
- Full Text:
- Date Issued: 2020
System analysis of fatigue in pilots and co-pilots executing short-hall flight operations
- Authors: Bennett, Cleo Taylor
- Date: 2020
- Subjects: Air pilots -- Health and hygiene , Fatigue , Work environment -- Psychological aspects , Work environment -- Physiological aspects
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/146622 , vital:38543
- Description: Background: This study was conducted as part of Denel’s South African Regional Aircraft (SARA) development project. Regional aircraft have a maximum flight time of 60 minutes. Hence, the study focuses on matters pertaining to the short-haul flight context. Pilot fatigue has been recognised as a safety concern in the aviation industry. It impacts on pilot performance across the board, not least in the short-haul context. However, the specific factors that lead to pilot fatigue in short-haul operations have not been well researched. Research Aim: To identify and examine the factors which influence pilot/co-pilot fatigue in short-haul aviation contexts. Method: Fatigue is multifaceted, and has multiple definitions and descriptions. It is acknowledged as a complex phenomenon, the development of which is dynamically influenced by various factors. Thus, a systems approach based on the work system model by Smith and Carayon-Sainfort (1989) was adopted for this study. A systems analysis was conducted in two parts: 1) a literature analysis, and 2) expert interviews. Results: Both the literature analysis and the interviews indicated that pilot fatigue in short-haul flight operations represent composite system outcomes influenced by various factors. The factors identified were structured (systematised) into categories, namely organizational factors, task-related factors, environmental factors, factors linked to technology and tools, and non-work-related factors specific to the individual pilot. An example of a task-related factor would be the performance by pilots of multiple take-offs and landings; organizational factors include work time arrangements and duty scheduling (e.g. unpredictable schedule, early starts/late finishes, number of flight sectors in a shift, extended working hours, numerous consecutive work days, standby duties, flight, duty and rest limitations (regulations and guidelines); and short turnaround periods); environmental factors might include the small pressurised cockpit environment, movement restriction, very low humidity, low air pressure, vibrations, high noise levels, low light intensity light, and inclement weather); there are many examples of how tools and technology utilized by pilots might affect their fatigue levels; and finally, pilot-specific non-work-related factors would include things like the pilot’s age, health (lifestyle), family stress, work experience and sleep environment. All of these factors were identified during the literature analysis and have a significant bearing on how fatigue could present in short-haul pilots/co-pilots. Other important fatigue-related factors revealed during the expert interviews included, organizational culture, time management, health implications of fatigue, and management of fatigue. Conclusions: Pilot fatigue is a complex and multi-factorial physiological condition. There are many interacting components which contribute to pilot fatigue in short-haul operations. These should be viewed from an integrated perspective and holistic, systems-based approaches should be taken to manage these issues, particularly in the context of short-haul operations. This would optimize pilot performance and well-being and, most importantly, improve the safety of the work environment to enhance overall operation safety. Limitations: The study does not quantify the contributions made to pilot fatigue by the various factors explored. Therefore, care needs to be taken when designing and implementing interventions based on this research.
- Full Text:
- Date Issued: 2020
- Authors: Bennett, Cleo Taylor
- Date: 2020
- Subjects: Air pilots -- Health and hygiene , Fatigue , Work environment -- Psychological aspects , Work environment -- Physiological aspects
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/146622 , vital:38543
- Description: Background: This study was conducted as part of Denel’s South African Regional Aircraft (SARA) development project. Regional aircraft have a maximum flight time of 60 minutes. Hence, the study focuses on matters pertaining to the short-haul flight context. Pilot fatigue has been recognised as a safety concern in the aviation industry. It impacts on pilot performance across the board, not least in the short-haul context. However, the specific factors that lead to pilot fatigue in short-haul operations have not been well researched. Research Aim: To identify and examine the factors which influence pilot/co-pilot fatigue in short-haul aviation contexts. Method: Fatigue is multifaceted, and has multiple definitions and descriptions. It is acknowledged as a complex phenomenon, the development of which is dynamically influenced by various factors. Thus, a systems approach based on the work system model by Smith and Carayon-Sainfort (1989) was adopted for this study. A systems analysis was conducted in two parts: 1) a literature analysis, and 2) expert interviews. Results: Both the literature analysis and the interviews indicated that pilot fatigue in short-haul flight operations represent composite system outcomes influenced by various factors. The factors identified were structured (systematised) into categories, namely organizational factors, task-related factors, environmental factors, factors linked to technology and tools, and non-work-related factors specific to the individual pilot. An example of a task-related factor would be the performance by pilots of multiple take-offs and landings; organizational factors include work time arrangements and duty scheduling (e.g. unpredictable schedule, early starts/late finishes, number of flight sectors in a shift, extended working hours, numerous consecutive work days, standby duties, flight, duty and rest limitations (regulations and guidelines); and short turnaround periods); environmental factors might include the small pressurised cockpit environment, movement restriction, very low humidity, low air pressure, vibrations, high noise levels, low light intensity light, and inclement weather); there are many examples of how tools and technology utilized by pilots might affect their fatigue levels; and finally, pilot-specific non-work-related factors would include things like the pilot’s age, health (lifestyle), family stress, work experience and sleep environment. All of these factors were identified during the literature analysis and have a significant bearing on how fatigue could present in short-haul pilots/co-pilots. Other important fatigue-related factors revealed during the expert interviews included, organizational culture, time management, health implications of fatigue, and management of fatigue. Conclusions: Pilot fatigue is a complex and multi-factorial physiological condition. There are many interacting components which contribute to pilot fatigue in short-haul operations. These should be viewed from an integrated perspective and holistic, systems-based approaches should be taken to manage these issues, particularly in the context of short-haul operations. This would optimize pilot performance and well-being and, most importantly, improve the safety of the work environment to enhance overall operation safety. Limitations: The study does not quantify the contributions made to pilot fatigue by the various factors explored. Therefore, care needs to be taken when designing and implementing interventions based on this research.
- Full Text:
- Date Issued: 2020
Prediction of mass spectra for natural products using an ab initio approach
- Authors: Novokoza, Yolanda
- Date: 2020
- Subjects: Molecular dynamics , Molecular dynamics -- Computer simulation , Mass spectroscopy , Electron impact ionization
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/167166 , vital:41443
- Description: Mass spectrometry (MS) is a technique that measures the fragmentation of molecules, dependent on the molecule’s chemical composition and structure, by first introducing a charge on the molecules. The instrument records the mass to charge ratio, but the energy from the ionization process causes the molecule to fragment. The resultant mass spectrum is highly indicative of not only the molecule analyzed, but also its chemical composition. MS is used in research and industry for both routine and research purposes. One such way to ionize molecules for MS is by bombarding the molecule with electrons which is the basis of electron impact mass spectrometry (EIMS). Although EIMS is widely used, prediction of electron impact mass spectra from first principles is a challenging problem due to a need to accurately determine the probability of different fragmentation pathways of a molecule. Ab initio molecular dynamics based methods are able to explore in an automatic fashion the energetically available fragmentation paths thus give reaction mechanisms in an unbiased way. The mass spectra of five molecules have been explored in work-flows leading to the prediction of mass spectra. These molecules include three natural products alpha-hispanolol, PFB oxime derivative and boronolide (for which experimental mass spectra were not available) and two compounds from the NIST database (for which experimental mass spectra were available). For each of these systems many random conformations were generated using the RDKit library. To all conformations random velocities were applied to each atom. Ab initio molecular dynamics was performed on each conformer, using these initial random velocities using CP2K software, at DFTB+ level at a variety of highly raised temperatures (to accelerate the formation of fragments) Fragmentation was monitored by iterating through all bonds, and identifying bond breakages during dynamics. Graph theoretical packages were used then to track distinct fragments generated. For each of these fragments, charges were determined from Mulliken analysis for all atoms on the fragment from the QM calculations and sum of atomic spin densities per fragment was also plotted. The fragment with the greatest charge (corresponding to the formation of a cation fragment) was taken for plotting on the mass spectrum. Finally, from the mass of the fragment and its elemental composition, the isotopic distribution for the fragment was determined, and this distribution was included by addition in to the mass spectrum. For all trajectories, the sum of all isotopic distributions determined the final mass spectrum.
- Full Text:
- Date Issued: 2020
- Authors: Novokoza, Yolanda
- Date: 2020
- Subjects: Molecular dynamics , Molecular dynamics -- Computer simulation , Mass spectroscopy , Electron impact ionization
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/167166 , vital:41443
- Description: Mass spectrometry (MS) is a technique that measures the fragmentation of molecules, dependent on the molecule’s chemical composition and structure, by first introducing a charge on the molecules. The instrument records the mass to charge ratio, but the energy from the ionization process causes the molecule to fragment. The resultant mass spectrum is highly indicative of not only the molecule analyzed, but also its chemical composition. MS is used in research and industry for both routine and research purposes. One such way to ionize molecules for MS is by bombarding the molecule with electrons which is the basis of electron impact mass spectrometry (EIMS). Although EIMS is widely used, prediction of electron impact mass spectra from first principles is a challenging problem due to a need to accurately determine the probability of different fragmentation pathways of a molecule. Ab initio molecular dynamics based methods are able to explore in an automatic fashion the energetically available fragmentation paths thus give reaction mechanisms in an unbiased way. The mass spectra of five molecules have been explored in work-flows leading to the prediction of mass spectra. These molecules include three natural products alpha-hispanolol, PFB oxime derivative and boronolide (for which experimental mass spectra were not available) and two compounds from the NIST database (for which experimental mass spectra were available). For each of these systems many random conformations were generated using the RDKit library. To all conformations random velocities were applied to each atom. Ab initio molecular dynamics was performed on each conformer, using these initial random velocities using CP2K software, at DFTB+ level at a variety of highly raised temperatures (to accelerate the formation of fragments) Fragmentation was monitored by iterating through all bonds, and identifying bond breakages during dynamics. Graph theoretical packages were used then to track distinct fragments generated. For each of these fragments, charges were determined from Mulliken analysis for all atoms on the fragment from the QM calculations and sum of atomic spin densities per fragment was also plotted. The fragment with the greatest charge (corresponding to the formation of a cation fragment) was taken for plotting on the mass spectrum. Finally, from the mass of the fragment and its elemental composition, the isotopic distribution for the fragment was determined, and this distribution was included by addition in to the mass spectrum. For all trajectories, the sum of all isotopic distributions determined the final mass spectrum.
- Full Text:
- Date Issued: 2020
An assessment of the effectiveness of the Crossways Farm Village constructed wetland in the treatment of domestic wastewater
- Authors: Silbernagl, Ryan
- Date: 2020
- Subjects: Crossways Farm Village FWS wetland (South Africa)-- Management , Sewage -- Purification -- South Africa , Wetland management -- South Africa
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/145011 , vital:38400
- Description: A mass balance study was conducted comparing inflowing and outflowing solute loads in order to calculate the treatment efficiency of a free water surface (FWS) constructed wetland used to treat domestic wastewater following primary treatment in an anaerobic reactor and oxidation in a rotating biological contractor. Water samples were taken at six locations down the length of the treatment system and analysed for nitrate nitrogen (NO3-N), nitrite nitrogen (NO2-N), ammonia nitrogen (NH4-N) and phosphorus as phosphate (PO4-P). Flow was determined using two V notch weirs combined with pressure transducers based on an empirically derived stage-discharge relationship. The concentration of each solute (g.m-3) multiplied by flow (m3.day-1) provides a measurement of the mass of each solute entering and leaving the treatment wetland such that the difference (inflow – outflow) indicates the nett storage in, or loss from, the wetland. In order to determine the water balance, apart from measuring surface inflows and outflows, rainfall was measured using an onsite rain gauge. Evapotranspirational losses were determined using the Penman-Monteith equation based on weather data collected at an onsite weather station. Other than water that entered the wetland via the primary water treatment works, surface inflows could be ignored as the wetland was sealed with a plastic liner, which also prevented groundwater inflow and outflow. Wetland outputs via surface outflow and evapotranspiration were then subtracted from wetland inputs to determine the water balance over the study period. Approximately 10.5% of water inputs into the hydrological mass balance calculation was not accounted for, which is considered to be accounted for by inaccuracy associated with the estimation of evapotranspiration and possibly by differences in water levels in the wetland at the start and end of the experiment. Total input, output and storage of NO3-N, NO2-N, NH4-N and PO4-P was calculated from April 2016 to September 2016 to give the treatment efficiency of the FWS wetland system. Results showed a 91.5% reduction in NO3-N, 76.6% reduction in NH4-N, and 88.8% reduction in PO4P between the inflow and outflow. Wetland sediment and vegetation (Typha capensis) samples were also analysed for nitrogen and phosphorus content to give an estimate of nutrient stocks/storage accumulated in plant tissues and sediments over the lifespan of the wetland. Standing stock calculations showed that a total of 450.1kg of nitrogen is stored in the wetlands, of which 69.3kg is stored in wetland sediments. Wetland phosphorus retention was found to be significantly lower with a total of 57.1kg of phosphorus, of which 77.4% was stored in sediments, indicating that wetland sediments comprise the largest store and therefore removal pathway of nutrients in the Crossways Farm Village FWS wetland.
- Full Text:
- Date Issued: 2020
- Authors: Silbernagl, Ryan
- Date: 2020
- Subjects: Crossways Farm Village FWS wetland (South Africa)-- Management , Sewage -- Purification -- South Africa , Wetland management -- South Africa
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/145011 , vital:38400
- Description: A mass balance study was conducted comparing inflowing and outflowing solute loads in order to calculate the treatment efficiency of a free water surface (FWS) constructed wetland used to treat domestic wastewater following primary treatment in an anaerobic reactor and oxidation in a rotating biological contractor. Water samples were taken at six locations down the length of the treatment system and analysed for nitrate nitrogen (NO3-N), nitrite nitrogen (NO2-N), ammonia nitrogen (NH4-N) and phosphorus as phosphate (PO4-P). Flow was determined using two V notch weirs combined with pressure transducers based on an empirically derived stage-discharge relationship. The concentration of each solute (g.m-3) multiplied by flow (m3.day-1) provides a measurement of the mass of each solute entering and leaving the treatment wetland such that the difference (inflow – outflow) indicates the nett storage in, or loss from, the wetland. In order to determine the water balance, apart from measuring surface inflows and outflows, rainfall was measured using an onsite rain gauge. Evapotranspirational losses were determined using the Penman-Monteith equation based on weather data collected at an onsite weather station. Other than water that entered the wetland via the primary water treatment works, surface inflows could be ignored as the wetland was sealed with a plastic liner, which also prevented groundwater inflow and outflow. Wetland outputs via surface outflow and evapotranspiration were then subtracted from wetland inputs to determine the water balance over the study period. Approximately 10.5% of water inputs into the hydrological mass balance calculation was not accounted for, which is considered to be accounted for by inaccuracy associated with the estimation of evapotranspiration and possibly by differences in water levels in the wetland at the start and end of the experiment. Total input, output and storage of NO3-N, NO2-N, NH4-N and PO4-P was calculated from April 2016 to September 2016 to give the treatment efficiency of the FWS wetland system. Results showed a 91.5% reduction in NO3-N, 76.6% reduction in NH4-N, and 88.8% reduction in PO4P between the inflow and outflow. Wetland sediment and vegetation (Typha capensis) samples were also analysed for nitrogen and phosphorus content to give an estimate of nutrient stocks/storage accumulated in plant tissues and sediments over the lifespan of the wetland. Standing stock calculations showed that a total of 450.1kg of nitrogen is stored in the wetlands, of which 69.3kg is stored in wetland sediments. Wetland phosphorus retention was found to be significantly lower with a total of 57.1kg of phosphorus, of which 77.4% was stored in sediments, indicating that wetland sediments comprise the largest store and therefore removal pathway of nutrients in the Crossways Farm Village FWS wetland.
- Full Text:
- Date Issued: 2020
The effect of alginate supplementation on the growth, feed utilization, digestive enzyme activity levels, and intestinal morphology of juvenile South African abalone (Haliotis midae) fed formulated feeds
- Authors: Tlakedi, Thato
- Date: 2020
- Subjects: Abalones -- Feeding and feeds -- South Africa , Haliotis midae , Abalones -- Digestive organs , Abalones -- Morphology
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/145279 , vital:38424
- Description: Alginate occurs abundantly in kelp and while a few studies have quantified the effect of kelp inclusion in formulated Haliotis midae feeds, none have researched the effect of alginate inclusion on the growth of abalone fed this feed. Feeding kelp to cultured abalone affects gut structure and modulates gut bacteria, aiding digestion by upregulating enzyme activity. This farm-based experiment compared the growth, feed utilization, digestive enzyme activity levels and intestinal villi structure between abalone (1-year-old, 10 - 20 mm shell length) fed kelp-supplemented (BK) or alginate-supplemented (BA) diets and abalone fed basal (B) and fresh kelp (K) diets for a period of eight months from June 2017 to February 2018. Growth and enzyme activities were also compared between abalone that experienced dietary changes and abalone that remained on their initial diets. The tested diets were: base diet (B, 34% protein), the same base diet supplemented with fresh minced kelp (0.90% kelp [dry mass, equivalent to 0.20% alginate]; BK), base diet supplemented with sodium alginate (0.20% alginate; BA) and a fresh kelp diet (K). Alginate or kelp inclusion in a formulated feed had no significant effect on the specific growth rates (SGR), linear shell growth rates (LGR), daily percentage feeding rates (PFR), feed conversion ratio (FCR), percentage mass gain (MG) and condition factor (CF) over the eight month trial period, compared to abalone fed the base diet. In October 2017, four months since the start of the trial in June, all the groups fed formulated feeds showed significantly higher average weight gain (8.42 ± 0.72 g to 8.86 ± 0.63 g) compared to the kelp-fed group (6.68 ± 0.43 g). However, no significant differences in the average weight gain were observed between abalone fed kelp and formulated feeds at the end of this study. Furthermore, there were no significant differences in the FCR and PFR between abalone fed the base or alginate diets and abalone fed the fresh kelp diet. However, the SW diet produced significantly lower FCR (1.00 ± 0.13) and PFR (0.78 ± 0.10%) compared to the kelp diet (10.6 ± 1.40% and 8.12 ± 1.01%, respectively). All formulated diets produced non-significant LGR, MG and CF compared to the kelp diet at the end of this study. Enzyme activity levels were compared between abalone fed the test diets in July and August 2017 and February 2018. There were no significant differences in the average alginate lyase specific activity levels between abalone fed formulated diets in July and August 2017. At the end of the trial, however, the alginate diet induced significantly higher alginate lyase specific activity levels (4.89 ± 1.64 mg.mg-1 protein) compared to the base diet (1.57 ± 0.98 mg.mg-1 protein), but showed no significant differences compared to the SW (3.78 ± 0.41 mg.mg-1 protein) and fresh kelp-only diets (4.00 ± 0.62 mg.mg-1 protein). The SW diet showed no significant differences in the alginate lyase specific activity levels compared to the base diet. There were no significant differences in the chymotrypsin activity levels between the test diets throughout this study. Alginate or kelp inclusion also had no significant effect on the intestinal structure compared to the base or fresh kelp diets. This was despite a higher degree of variability in microvilli height and width being observed in abalone fed the kelp-only diet, with microvilli visibly wider and longer than in abalone fed formulated feeds. Switching abalone between some diets significantly affected the average weight gain, MG, FCR and PFR, alginate lyase, chymotrypsin and cellulase activity levels compared to abalone kept on their initial diets. The inclusion levels of kelp and alginate used in this study were likely too low to affect abalone growth as higher inclusion levels, particularly of alginate, have been found to improve fish growth. This study concluded that minced kelp and alginate inclusion in a formulated H. midae diet did not affect the SGR, FCR and intestinal morphology, but significantly affected alginate lyase and chymotrypsin activity levels. Furthermore, changes in growth and digestive enzyme activity levels coincided with dietary changes. Consequently, higher inclusion levels, particularly of sodium alginate, and the effect of dietary changes on abalone growth and digestive enzymes must be investigated in future studies.
- Full Text:
- Date Issued: 2020
- Authors: Tlakedi, Thato
- Date: 2020
- Subjects: Abalones -- Feeding and feeds -- South Africa , Haliotis midae , Abalones -- Digestive organs , Abalones -- Morphology
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/145279 , vital:38424
- Description: Alginate occurs abundantly in kelp and while a few studies have quantified the effect of kelp inclusion in formulated Haliotis midae feeds, none have researched the effect of alginate inclusion on the growth of abalone fed this feed. Feeding kelp to cultured abalone affects gut structure and modulates gut bacteria, aiding digestion by upregulating enzyme activity. This farm-based experiment compared the growth, feed utilization, digestive enzyme activity levels and intestinal villi structure between abalone (1-year-old, 10 - 20 mm shell length) fed kelp-supplemented (BK) or alginate-supplemented (BA) diets and abalone fed basal (B) and fresh kelp (K) diets for a period of eight months from June 2017 to February 2018. Growth and enzyme activities were also compared between abalone that experienced dietary changes and abalone that remained on their initial diets. The tested diets were: base diet (B, 34% protein), the same base diet supplemented with fresh minced kelp (0.90% kelp [dry mass, equivalent to 0.20% alginate]; BK), base diet supplemented with sodium alginate (0.20% alginate; BA) and a fresh kelp diet (K). Alginate or kelp inclusion in a formulated feed had no significant effect on the specific growth rates (SGR), linear shell growth rates (LGR), daily percentage feeding rates (PFR), feed conversion ratio (FCR), percentage mass gain (MG) and condition factor (CF) over the eight month trial period, compared to abalone fed the base diet. In October 2017, four months since the start of the trial in June, all the groups fed formulated feeds showed significantly higher average weight gain (8.42 ± 0.72 g to 8.86 ± 0.63 g) compared to the kelp-fed group (6.68 ± 0.43 g). However, no significant differences in the average weight gain were observed between abalone fed kelp and formulated feeds at the end of this study. Furthermore, there were no significant differences in the FCR and PFR between abalone fed the base or alginate diets and abalone fed the fresh kelp diet. However, the SW diet produced significantly lower FCR (1.00 ± 0.13) and PFR (0.78 ± 0.10%) compared to the kelp diet (10.6 ± 1.40% and 8.12 ± 1.01%, respectively). All formulated diets produced non-significant LGR, MG and CF compared to the kelp diet at the end of this study. Enzyme activity levels were compared between abalone fed the test diets in July and August 2017 and February 2018. There were no significant differences in the average alginate lyase specific activity levels between abalone fed formulated diets in July and August 2017. At the end of the trial, however, the alginate diet induced significantly higher alginate lyase specific activity levels (4.89 ± 1.64 mg.mg-1 protein) compared to the base diet (1.57 ± 0.98 mg.mg-1 protein), but showed no significant differences compared to the SW (3.78 ± 0.41 mg.mg-1 protein) and fresh kelp-only diets (4.00 ± 0.62 mg.mg-1 protein). The SW diet showed no significant differences in the alginate lyase specific activity levels compared to the base diet. There were no significant differences in the chymotrypsin activity levels between the test diets throughout this study. Alginate or kelp inclusion also had no significant effect on the intestinal structure compared to the base or fresh kelp diets. This was despite a higher degree of variability in microvilli height and width being observed in abalone fed the kelp-only diet, with microvilli visibly wider and longer than in abalone fed formulated feeds. Switching abalone between some diets significantly affected the average weight gain, MG, FCR and PFR, alginate lyase, chymotrypsin and cellulase activity levels compared to abalone kept on their initial diets. The inclusion levels of kelp and alginate used in this study were likely too low to affect abalone growth as higher inclusion levels, particularly of alginate, have been found to improve fish growth. This study concluded that minced kelp and alginate inclusion in a formulated H. midae diet did not affect the SGR, FCR and intestinal morphology, but significantly affected alginate lyase and chymotrypsin activity levels. Furthermore, changes in growth and digestive enzyme activity levels coincided with dietary changes. Consequently, higher inclusion levels, particularly of sodium alginate, and the effect of dietary changes on abalone growth and digestive enzymes must be investigated in future studies.
- Full Text:
- Date Issued: 2020
Investigation into the influence of an alien plant species on the soil microbiota of the sub-Antarctic, Marion Island
- Authors: Pienaar, Robert Daniel
- Date: 2020
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/124039 , vital:35531
- Description: Embargo applied. Embargo period to expire in April of 2021.
- Full Text:
- Date Issued: 2020
- Authors: Pienaar, Robert Daniel
- Date: 2020
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/124039 , vital:35531
- Description: Embargo applied. Embargo period to expire in April of 2021.
- Full Text:
- Date Issued: 2020
Fluid characteristics in hydrothermal veins of the Twangiza-Namoya Gold Belt, South Kivu and Maniema Provinces, DRC
- Authors: Reid, Wesson Kyle
- Date: 2020
- Subjects: Gold ores -- Geology -- Kivu (Congo : Region) , Mineralogy -- Congo (Democratic Republic) , Hydrothermal deposits -- Congo (Democratic Republic) , Quartz -- Congo (Democratic Republic)
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/167314 , vital:41467
- Description: This study evaluates fluid variations in hydrothermal quartz veins from gold deposits in Kamiuga, Lugushwa and Namoya, located in the Twangiza-Namoya Gold Belt (TNGB) of the Kibara Belt in the eastern Democratic Republic of the Congo (DRC. Petrographic, fluid inclusion (FI) microthermometric observations and Raman spectroscopy provided qualitative and quantitative fluid composition data on the hydrothermal and magmatic fluids and their evolution during mineral precipitation. The formational fluids, based on genetically specific characteristics, were categorized into six distinct FI Types. Type 1 to 4 FIs are common in all TNGB fluids. Type 1 and 2 FIs are high salinity halite bearing FIs that indicate formation fluids that are predominantly metamorphic-sedimentary in source. CO2 vapour-bearing and the aqueous-saline CO2 liquid-bearing Type 3 FIs commonly contain CH4 and/or N2. Type 4 FIs are saline aqueous and commonly co-genetic with Type 1 and 2 FIs. Type 5 CO2-rich FIs contain either sulphide crystals, amorphous or crystalline carbon. Type 3 and 5 FIs indicate fluid sources rich in organic materials. Type 6 single aqueous-liquid phase FIs have no apour bubble, lacked a visible phase change on heating and were not thermometrically evaluated. The data indicated a high correlation between fluid composition and gold grades. High Au grade veins correlate with CO2 bearing Type 3 and 5 FIs -predominantly liquid-bearing CO2 fluids and quartz veins and fluids that contain increased organic material and sulphides. The polyphase quartz veins show highly variable homogenisation and formational temperatures exceeding 400°C. Formation conditions indicate high trapping temperatures in relation to the pressures at which fluids were captured. The high depth-temperature gradients are likely associated with mesothermal orogenic go ld deposition. Mineralisation is interpreted to have taken place as a result of mobilisation of fluids during the Pan African orogeny. Based on fluid petrography and microthermometry, gold mineralisation is most likely associated with secondary fluid influx from metamorphic sedimentary sourrces such as metapelites. The correlation between high gold grades and secondary fluids containing sulphides, high depth-temperature gradients, elevated CO2, CH4 and organic materials suggest black shales as a possible primary fluid and gold source. The development of variable and multiple fluid influx events and interactions with host rocks and imported materials resulted in complex polyphase quartz veins; the product of which created viable gold deposits throughout the TNGB. The six FI Types provides evidence of the diversity in the formation and evolution of gold deposits in the TNGB.
- Full Text:
- Date Issued: 2020
- Authors: Reid, Wesson Kyle
- Date: 2020
- Subjects: Gold ores -- Geology -- Kivu (Congo : Region) , Mineralogy -- Congo (Democratic Republic) , Hydrothermal deposits -- Congo (Democratic Republic) , Quartz -- Congo (Democratic Republic)
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/167314 , vital:41467
- Description: This study evaluates fluid variations in hydrothermal quartz veins from gold deposits in Kamiuga, Lugushwa and Namoya, located in the Twangiza-Namoya Gold Belt (TNGB) of the Kibara Belt in the eastern Democratic Republic of the Congo (DRC. Petrographic, fluid inclusion (FI) microthermometric observations and Raman spectroscopy provided qualitative and quantitative fluid composition data on the hydrothermal and magmatic fluids and their evolution during mineral precipitation. The formational fluids, based on genetically specific characteristics, were categorized into six distinct FI Types. Type 1 to 4 FIs are common in all TNGB fluids. Type 1 and 2 FIs are high salinity halite bearing FIs that indicate formation fluids that are predominantly metamorphic-sedimentary in source. CO2 vapour-bearing and the aqueous-saline CO2 liquid-bearing Type 3 FIs commonly contain CH4 and/or N2. Type 4 FIs are saline aqueous and commonly co-genetic with Type 1 and 2 FIs. Type 5 CO2-rich FIs contain either sulphide crystals, amorphous or crystalline carbon. Type 3 and 5 FIs indicate fluid sources rich in organic materials. Type 6 single aqueous-liquid phase FIs have no apour bubble, lacked a visible phase change on heating and were not thermometrically evaluated. The data indicated a high correlation between fluid composition and gold grades. High Au grade veins correlate with CO2 bearing Type 3 and 5 FIs -predominantly liquid-bearing CO2 fluids and quartz veins and fluids that contain increased organic material and sulphides. The polyphase quartz veins show highly variable homogenisation and formational temperatures exceeding 400°C. Formation conditions indicate high trapping temperatures in relation to the pressures at which fluids were captured. The high depth-temperature gradients are likely associated with mesothermal orogenic go ld deposition. Mineralisation is interpreted to have taken place as a result of mobilisation of fluids during the Pan African orogeny. Based on fluid petrography and microthermometry, gold mineralisation is most likely associated with secondary fluid influx from metamorphic sedimentary sourrces such as metapelites. The correlation between high gold grades and secondary fluids containing sulphides, high depth-temperature gradients, elevated CO2, CH4 and organic materials suggest black shales as a possible primary fluid and gold source. The development of variable and multiple fluid influx events and interactions with host rocks and imported materials resulted in complex polyphase quartz veins; the product of which created viable gold deposits throughout the TNGB. The six FI Types provides evidence of the diversity in the formation and evolution of gold deposits in the TNGB.
- Full Text:
- Date Issued: 2020
Exploring Quinolinyl-Thiazolidinedione hybrid compounds as potential anti-tubercular agents
- Authors: Mtshare, Thanduxolo Elihle
- Date: 2020
- Subjects: Quinoline , Mycobacterium tuberculosis , Tuberculosis -- Chemotherapy , Plasmodium falciparum , Thiazolidinedione
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/143314 , vital:38232
- Description: Tuberculosis (TB) is an infectious disease caused by the pathogen, Mycobacterium tuberculosis. According to the World Health Organization, TB is the ninth leading cause of death worldwide ranking above HIV/AIDS. This high mortality rate of TB begs the questions about the efficiency of the current therapy and raises an urgent need to create novel anti-tuberculosis agents which will aid in curbing this burden. Quinoline containing compounds have remarkable biological activities across a wide spectrum of diseases including anti-tuberculosis. On the other hand, thiazolidinedione containing compounds possess a broad spectrum of biological properties. In this study, we rationally designed compounds containing these pharmacophoric units and investigated them for their potential biological activity against Mycobacterium tuberculosis. Considering antimalarial activity of quinoline-based compounds, the compounds achieved were also cross-screened for their activity against the Plasmodium falciparum parasite, a causative agent of malaria. In all the synthesized compounds, compound 2.6a, 2.6b and 2.7b emerged as most active compounds against the H37Rv strain with MIC₉₀ values ranging in between of 1.08 – 17.1 μM. In addition, none of the compounds showed any inhibitory activities against the 3D7 strain of P. falciparum parasite. All the compounds prepared in this study showed no significant human cytotoxic effects as measured by HeLa cell line.
- Full Text:
- Date Issued: 2020
- Authors: Mtshare, Thanduxolo Elihle
- Date: 2020
- Subjects: Quinoline , Mycobacterium tuberculosis , Tuberculosis -- Chemotherapy , Plasmodium falciparum , Thiazolidinedione
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/143314 , vital:38232
- Description: Tuberculosis (TB) is an infectious disease caused by the pathogen, Mycobacterium tuberculosis. According to the World Health Organization, TB is the ninth leading cause of death worldwide ranking above HIV/AIDS. This high mortality rate of TB begs the questions about the efficiency of the current therapy and raises an urgent need to create novel anti-tuberculosis agents which will aid in curbing this burden. Quinoline containing compounds have remarkable biological activities across a wide spectrum of diseases including anti-tuberculosis. On the other hand, thiazolidinedione containing compounds possess a broad spectrum of biological properties. In this study, we rationally designed compounds containing these pharmacophoric units and investigated them for their potential biological activity against Mycobacterium tuberculosis. Considering antimalarial activity of quinoline-based compounds, the compounds achieved were also cross-screened for their activity against the Plasmodium falciparum parasite, a causative agent of malaria. In all the synthesized compounds, compound 2.6a, 2.6b and 2.7b emerged as most active compounds against the H37Rv strain with MIC₉₀ values ranging in between of 1.08 – 17.1 μM. In addition, none of the compounds showed any inhibitory activities against the 3D7 strain of P. falciparum parasite. All the compounds prepared in this study showed no significant human cytotoxic effects as measured by HeLa cell line.
- Full Text:
- Date Issued: 2020
Combination ecosystem green engineering and early life history processes to enhance the intertidal biodiversity in the Port of East London
- Authors: Mafanya, Sandisiwer
- Date: 2020
- Subjects: Biotic communities -- South Africa -- East London , Perna -- Ecology --South Africa -- South Africa-- East London , Mexilhao mussel -- Ecology -- South Africa -- East London , Habitat (Ecology) -- Modification -- South Africa -- East London , Benthic animals -- Effect of habitat modification on -- South Africa -- East London , Harbors -- Environmental aspects -- South Africa -- East London
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/166376 , vital:41357
- Description: Marine coastal ecosystems are highly impacted by anthropogenic activities, including the development of, and practices within, harbours and/or ports. Artificial structures associated with harbours have a different chemical composition, texture and orientation than that of the natural benthic habitats they have replaced, and are therefore not generally favourable for the settlement and occurrence of indigenous species. Attempts are being made to identify what structures and materials can be used to aid in the rehabilitation of native species within harbours. The aim of this study was to investigate the effects of utilising environmentally-friendly artificial structures (tiles) with varying complexity (crevices and ridges with different depths) with ecological engineers (the indigenous bivalve Perna perna), on the associated benthic biodiversity within an international port in South Africa (Port of East London). The objectives of the study were to test the effects of artificial habitat complexity and the presence of bivalves on 1) the growth, mortality and biomass of a selected model species of ecosystem engineer (P. perna), and 2) the associated intertidal biodiversity. Tiles seeded with bivalves (P. perna) were deployed at two sites in the Port of East London and monitored monthly over a period of 12 months (November 2016-October 2017) to assess survival, growth and associated biodiversity. Environmental variables were also measured every month. The results of the three-way repeated measures ANOVAs indicated that tile treatment (especially high complexity of 2.5 and 5 cm) had an effect on the diversity of mobile species, length, height and biomass of the bivalves used as model ecosystem engineer, indicating the potentials for protection from wave dislodgement and refuge provision. Treatment (especially flat tiles) also had an effect on sessile/sedentary species diversity, indicating the greater proportion of space provided by these non-complex tiles. In addition, month had an effect on the mortality, height and biomass of the bivalves. Mortality was highest in October 2017, while the growth in height and biomass of P. perna were largest in January and October 2017 respectively. The use of artificial tiles also had a positive effect on the survival, growth, and biomass of bivalves (especially the length, weight and dry weight in 2.5 cm and 5 cm complexity). Additionally, this research investigated patterns of settlement and recruitment of the local bivalve population (P. perna) in the Port of East London and adjacent natural coastline to understand the early life history temporal and spatial dynamics of this model ecosystem engineer species. Settlement and recruitment were assessed every month by deploying and replacing artificial collectors for a total period of 19 months (November 2016-May 2018). The results of the two-way ANOVAs indicated that month and site (port vs natural) had an effect on settlement and recruitment of bivalves. Settlement and recruitment of bivalves were highest in July 2017 (port) and March 2018 (natural rocky shore). This study has highlighted that the use of artificial concrete tiles with increased complexity, as well as the investigation of the early stages of mussel populations could be important to consider in a framework of rehabilitation of urban coastal environments such as the Port of East London. Ecological engineering (in terms of increased complexity and heterogeneity) has indeed the potentials to be incorporated in South African programmes aiming at improving natural biodiversity in coastal urban environments. Nonetheless, the spatio-temporal variability of early driver of mussel populations (settlement and recruitment) is also an important feature to be closely monitored if biodiversity in South African coastal armouring is to be enhanced effectively and in the long term.
- Full Text:
- Date Issued: 2020
- Authors: Mafanya, Sandisiwer
- Date: 2020
- Subjects: Biotic communities -- South Africa -- East London , Perna -- Ecology --South Africa -- South Africa-- East London , Mexilhao mussel -- Ecology -- South Africa -- East London , Habitat (Ecology) -- Modification -- South Africa -- East London , Benthic animals -- Effect of habitat modification on -- South Africa -- East London , Harbors -- Environmental aspects -- South Africa -- East London
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/166376 , vital:41357
- Description: Marine coastal ecosystems are highly impacted by anthropogenic activities, including the development of, and practices within, harbours and/or ports. Artificial structures associated with harbours have a different chemical composition, texture and orientation than that of the natural benthic habitats they have replaced, and are therefore not generally favourable for the settlement and occurrence of indigenous species. Attempts are being made to identify what structures and materials can be used to aid in the rehabilitation of native species within harbours. The aim of this study was to investigate the effects of utilising environmentally-friendly artificial structures (tiles) with varying complexity (crevices and ridges with different depths) with ecological engineers (the indigenous bivalve Perna perna), on the associated benthic biodiversity within an international port in South Africa (Port of East London). The objectives of the study were to test the effects of artificial habitat complexity and the presence of bivalves on 1) the growth, mortality and biomass of a selected model species of ecosystem engineer (P. perna), and 2) the associated intertidal biodiversity. Tiles seeded with bivalves (P. perna) were deployed at two sites in the Port of East London and monitored monthly over a period of 12 months (November 2016-October 2017) to assess survival, growth and associated biodiversity. Environmental variables were also measured every month. The results of the three-way repeated measures ANOVAs indicated that tile treatment (especially high complexity of 2.5 and 5 cm) had an effect on the diversity of mobile species, length, height and biomass of the bivalves used as model ecosystem engineer, indicating the potentials for protection from wave dislodgement and refuge provision. Treatment (especially flat tiles) also had an effect on sessile/sedentary species diversity, indicating the greater proportion of space provided by these non-complex tiles. In addition, month had an effect on the mortality, height and biomass of the bivalves. Mortality was highest in October 2017, while the growth in height and biomass of P. perna were largest in January and October 2017 respectively. The use of artificial tiles also had a positive effect on the survival, growth, and biomass of bivalves (especially the length, weight and dry weight in 2.5 cm and 5 cm complexity). Additionally, this research investigated patterns of settlement and recruitment of the local bivalve population (P. perna) in the Port of East London and adjacent natural coastline to understand the early life history temporal and spatial dynamics of this model ecosystem engineer species. Settlement and recruitment were assessed every month by deploying and replacing artificial collectors for a total period of 19 months (November 2016-May 2018). The results of the two-way ANOVAs indicated that month and site (port vs natural) had an effect on settlement and recruitment of bivalves. Settlement and recruitment of bivalves were highest in July 2017 (port) and March 2018 (natural rocky shore). This study has highlighted that the use of artificial concrete tiles with increased complexity, as well as the investigation of the early stages of mussel populations could be important to consider in a framework of rehabilitation of urban coastal environments such as the Port of East London. Ecological engineering (in terms of increased complexity and heterogeneity) has indeed the potentials to be incorporated in South African programmes aiming at improving natural biodiversity in coastal urban environments. Nonetheless, the spatio-temporal variability of early driver of mussel populations (settlement and recruitment) is also an important feature to be closely monitored if biodiversity in South African coastal armouring is to be enhanced effectively and in the long term.
- Full Text:
- Date Issued: 2020
Analysis of the regulation of HSP90α expression upon differentiation of C2C12 cells
- Authors: Holm, Nathan Christopher
- Date: 2020
- Subjects: Uncatalogued
- Language: English
- Type: thesis , text , Masters , MSc
- Identifier: http://hdl.handle.net/10962/163318 , vital:41028
- Description: Thesis (MSc)--Rhodes University, Faculty of Science, Biochemistry and Microbiology, 2020.
- Full Text:
- Date Issued: 2020
- Authors: Holm, Nathan Christopher
- Date: 2020
- Subjects: Uncatalogued
- Language: English
- Type: thesis , text , Masters , MSc
- Identifier: http://hdl.handle.net/10962/163318 , vital:41028
- Description: Thesis (MSc)--Rhodes University, Faculty of Science, Biochemistry and Microbiology, 2020.
- Full Text:
- Date Issued: 2020
Design, formulation and evaluation of liposomes co-loaded with human serum albumin and rifampicin
- Authors: Bapolisi, Alain Murhimalika
- Date: 2020
- Subjects: Liposomes , Rifampin , Antitubercular agents , Serum albumin , Albumins , Tuberculosis -- Treatment
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/163179 , vital:41016
- Description: Tuberculosis (TB) is a devastating infectious disease caused by Mycobacterium tuberculosis and is the leading cause of death from a single infectious agent. The high morbidity and mortality rates of TB are partly due to factors such as the lengthy regimen (of 6–24 months), the development of drug resistance, and the pathogen location within the macrophages. These, with poor physiochemical properties of existing drugs hamper the effectiveness of the treatment despite the existence of potent antibiotics such as Rifampicin (Rif). Hydrophobicity plagues many drugs, including Rif, which are then particularly affected due to inherently poor intracellular availability. Novel drug delivery approaches are therefore needed in order to optimize the cytotoxic potential of said antitubercular drugs. To improve the bioavailability of hydrophobic drugs, numerous delivery strategies have been developed. Amongst these, the coordination of cytotoxic drugs to therapeutic proteins have shown some success for improved efficacy in the management of illnesses including infectious diseases. Of therapeutic proteins, Human Serum Albumin (HSA) is an attractive drug carrier with interesting benefits such as low immunogenicity, antioxidant properties and improving cellular uptake of drugs through HSA-specific binding sites which are expressed on most cells including macrophages, where M. tuberculosis often resides. Hence, combination of Rif to HSA (Rif-HSA) seems a promising approach for improved intracellular delivery of Rif. However, the in vivo stability of colloidal protein-based therapeutics is mostly challenging and an effective vehicle is needed to control the biological fate of such conjugates. Liposomes seem to be appropriate carriers for the Rif-HSA complex due to their reputable applicability for encapsulating diverse materials (i.e., hydrophobic and hydrophilic compounds or small and complex molecules) and preventing chemical and biological degradation of the cargo. Therefore, the main objective of this study was to simultaneously encapsulate Rif and HSA in liposomes, which, to the best of our knowledge, has not been done before. The dual liposomes (Rif-HSA-lip) were made by a modified “Reverse Phase Evaporation” method (REV), following a Design of Experiments (DOE) approach to determine which factors impact the formulation. In addition, liposomes were made from crude soybean lecithin (CSL), rather than expensive and highly purified lipids. iv The liposomes were fully characterised, and the encapsulation efficiency (î) was monitored using high-performance liquid chromatography (HPLC). The results were correlated with factors such as organic and aqueous phase composition, as well as the in vitro release profile of Rif. Transmission electron microscopy (TEM) results confirmed the formation of spherical dual liposomes nanoparticles of roughly 200 nm. Dynamic light scattering (DLS) and Zeta potential measurements showed a negative charge (<–45 mV) and with satisfactory polydispersity (PDI<0.5). HSA dramatically improved the aqueous solubility of Rif (from1.9 mg/ml in water to around 4.3 mg/ml in HSA 10% solution) mainly due to Rif-HSA hydrophobic interactions. This resulted in a good î of almost 60% for Rif, despite the presence of bulky HSA in the lipid bilayer. These details were confirmed using proton nuclear magnetic resonance (1H NMR) and Fourier-transform infrared spectroscopy (FTIR). Furthermore, energy dispersive X-ray (EDX) and DLS data suggested the presence of HSA poking out on the surface of liposomes, which is encouraging for potential targeted delivery in the future. The in vitro release studies also depicted a substantial improvement in the diffusion of Rif in dual liposomes versus free Rif, from 65% after 12 hours for free Rif to 95% after only 5 hours for Rif- HSA-lip. Finally, stability studies conducted over 30 days at room temperature, showed that the freeze-dried formulations of Rif-HSA-lip exhibited good shelf stability over liposomes with no HSA. This study represents an illustrative example of co-loading of antibiotics and proteins into liposomes, which could encourage further development of novel nanoparticulate tools for the effective management of both drug-susceptible and -resistant infectious diseases such as TB.
- Full Text:
- Date Issued: 2020
- Authors: Bapolisi, Alain Murhimalika
- Date: 2020
- Subjects: Liposomes , Rifampin , Antitubercular agents , Serum albumin , Albumins , Tuberculosis -- Treatment
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/163179 , vital:41016
- Description: Tuberculosis (TB) is a devastating infectious disease caused by Mycobacterium tuberculosis and is the leading cause of death from a single infectious agent. The high morbidity and mortality rates of TB are partly due to factors such as the lengthy regimen (of 6–24 months), the development of drug resistance, and the pathogen location within the macrophages. These, with poor physiochemical properties of existing drugs hamper the effectiveness of the treatment despite the existence of potent antibiotics such as Rifampicin (Rif). Hydrophobicity plagues many drugs, including Rif, which are then particularly affected due to inherently poor intracellular availability. Novel drug delivery approaches are therefore needed in order to optimize the cytotoxic potential of said antitubercular drugs. To improve the bioavailability of hydrophobic drugs, numerous delivery strategies have been developed. Amongst these, the coordination of cytotoxic drugs to therapeutic proteins have shown some success for improved efficacy in the management of illnesses including infectious diseases. Of therapeutic proteins, Human Serum Albumin (HSA) is an attractive drug carrier with interesting benefits such as low immunogenicity, antioxidant properties and improving cellular uptake of drugs through HSA-specific binding sites which are expressed on most cells including macrophages, where M. tuberculosis often resides. Hence, combination of Rif to HSA (Rif-HSA) seems a promising approach for improved intracellular delivery of Rif. However, the in vivo stability of colloidal protein-based therapeutics is mostly challenging and an effective vehicle is needed to control the biological fate of such conjugates. Liposomes seem to be appropriate carriers for the Rif-HSA complex due to their reputable applicability for encapsulating diverse materials (i.e., hydrophobic and hydrophilic compounds or small and complex molecules) and preventing chemical and biological degradation of the cargo. Therefore, the main objective of this study was to simultaneously encapsulate Rif and HSA in liposomes, which, to the best of our knowledge, has not been done before. The dual liposomes (Rif-HSA-lip) were made by a modified “Reverse Phase Evaporation” method (REV), following a Design of Experiments (DOE) approach to determine which factors impact the formulation. In addition, liposomes were made from crude soybean lecithin (CSL), rather than expensive and highly purified lipids. iv The liposomes were fully characterised, and the encapsulation efficiency (î) was monitored using high-performance liquid chromatography (HPLC). The results were correlated with factors such as organic and aqueous phase composition, as well as the in vitro release profile of Rif. Transmission electron microscopy (TEM) results confirmed the formation of spherical dual liposomes nanoparticles of roughly 200 nm. Dynamic light scattering (DLS) and Zeta potential measurements showed a negative charge (<–45 mV) and with satisfactory polydispersity (PDI<0.5). HSA dramatically improved the aqueous solubility of Rif (from1.9 mg/ml in water to around 4.3 mg/ml in HSA 10% solution) mainly due to Rif-HSA hydrophobic interactions. This resulted in a good î of almost 60% for Rif, despite the presence of bulky HSA in the lipid bilayer. These details were confirmed using proton nuclear magnetic resonance (1H NMR) and Fourier-transform infrared spectroscopy (FTIR). Furthermore, energy dispersive X-ray (EDX) and DLS data suggested the presence of HSA poking out on the surface of liposomes, which is encouraging for potential targeted delivery in the future. The in vitro release studies also depicted a substantial improvement in the diffusion of Rif in dual liposomes versus free Rif, from 65% after 12 hours for free Rif to 95% after only 5 hours for Rif- HSA-lip. Finally, stability studies conducted over 30 days at room temperature, showed that the freeze-dried formulations of Rif-HSA-lip exhibited good shelf stability over liposomes with no HSA. This study represents an illustrative example of co-loading of antibiotics and proteins into liposomes, which could encourage further development of novel nanoparticulate tools for the effective management of both drug-susceptible and -resistant infectious diseases such as TB.
- Full Text:
- Date Issued: 2020
Managing the invasive aquatic plant Sagittaria platyphylla (Engelm.) J.G. Sm(Alismataceae): problems and prospects
- Ndlovu, Mpilonhle Sinothando
- Authors: Ndlovu, Mpilonhle Sinothando
- Date: 2020
- Subjects: Aquatic weeds -- Biological control -- South Africa , Sagittaria latifolia -- Biological control -- South Africa , Noxious weeds -- Biological control -- South Africa , Invasive plants -- Biological control -- South Africa , Listronotus , Insects as biological pest control agents
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/167121 , vital:41439
- Description: Sagittaria platyphylla (Engelm.) J.G.Sm. (Alismataceae), commonly known as Delta arrowhead, is an invasive aquatic macrophyte native to southern United States of America (USA) that has become a serious weed in freshwater systems in South Africa, New Zealand, Australia, and recently China. In South Africa, the plant was first detected in Krantzkloof Nature Reserve, KwaZulu-Natal Province in 2008, and due to its known impact in other countries, it was listed as a Category 1a invader species under the National Environmental Management: Biodiversity Act 2004 (NEM: BA). This listing required mechanical and chemical control methods to be implemented by the South African National Biodiversity Institute’s (SANBI), Invasive Species Programme (ISP), with the aim of eradicating the weed. Despite the eradication efforts, by 2016, the weed was recognized as one of the country’s top 10 worst and fastest spreading invasive alien plants. Since its introduction in 2008, the plant has spread both within and between sites in South Africa, increasing from one site in 2008 to 72 sites by 2019. Once introduced into lotic systems, the plant spread rapidly downstream, in some cases up to 120km within six years, with an average of 10 km per year. Extirpation over the last ten years was only possible at a limited number of sites. Under the current management approach, the invasion is foreseen to spread to new sites within a 5 km radius of the current populations. Due to the failure of conventional control mechanisms, biological control is currently being considered as a potential control option. Four potential biological control agents are under investigation, but none have been released. Amongst them is the fruit and flower feeding weevil Listronotus appendiculatus Bohm. (Coleoptera: Curculionidae) which showed most potential as a suitable biological control agent. This study demonstrated that L. appendiculatus herbivory negatively influenced the overall fitness of S. platyphylla by reducing the plant’s growth rate and above ground biomass. Listronotus appendiculatus herbivory also reduced the plant’s size and the potential to kill adult plants. Most importantly, L. appendiculatus larval feeding damage significantly reduce viable-germinating seeds, the weed’s primary dispersal mechanism. Therefore, a biological control programme is advised to be integrated within the current management plan.
- Full Text:
- Date Issued: 2020
- Authors: Ndlovu, Mpilonhle Sinothando
- Date: 2020
- Subjects: Aquatic weeds -- Biological control -- South Africa , Sagittaria latifolia -- Biological control -- South Africa , Noxious weeds -- Biological control -- South Africa , Invasive plants -- Biological control -- South Africa , Listronotus , Insects as biological pest control agents
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/167121 , vital:41439
- Description: Sagittaria platyphylla (Engelm.) J.G.Sm. (Alismataceae), commonly known as Delta arrowhead, is an invasive aquatic macrophyte native to southern United States of America (USA) that has become a serious weed in freshwater systems in South Africa, New Zealand, Australia, and recently China. In South Africa, the plant was first detected in Krantzkloof Nature Reserve, KwaZulu-Natal Province in 2008, and due to its known impact in other countries, it was listed as a Category 1a invader species under the National Environmental Management: Biodiversity Act 2004 (NEM: BA). This listing required mechanical and chemical control methods to be implemented by the South African National Biodiversity Institute’s (SANBI), Invasive Species Programme (ISP), with the aim of eradicating the weed. Despite the eradication efforts, by 2016, the weed was recognized as one of the country’s top 10 worst and fastest spreading invasive alien plants. Since its introduction in 2008, the plant has spread both within and between sites in South Africa, increasing from one site in 2008 to 72 sites by 2019. Once introduced into lotic systems, the plant spread rapidly downstream, in some cases up to 120km within six years, with an average of 10 km per year. Extirpation over the last ten years was only possible at a limited number of sites. Under the current management approach, the invasion is foreseen to spread to new sites within a 5 km radius of the current populations. Due to the failure of conventional control mechanisms, biological control is currently being considered as a potential control option. Four potential biological control agents are under investigation, but none have been released. Amongst them is the fruit and flower feeding weevil Listronotus appendiculatus Bohm. (Coleoptera: Curculionidae) which showed most potential as a suitable biological control agent. This study demonstrated that L. appendiculatus herbivory negatively influenced the overall fitness of S. platyphylla by reducing the plant’s growth rate and above ground biomass. Listronotus appendiculatus herbivory also reduced the plant’s size and the potential to kill adult plants. Most importantly, L. appendiculatus larval feeding damage significantly reduce viable-germinating seeds, the weed’s primary dispersal mechanism. Therefore, a biological control programme is advised to be integrated within the current management plan.
- Full Text:
- Date Issued: 2020
Using a spatial resilience lens to understand alignments and misalignments in South Africa’s marine governance system
- Authors: Hardisty, Shannon
- Date: 2020
- Subjects: Marine parks and reserves -- South Africa , Marine parks and reserves -- South Africa -- Management , Marine parks and reserves -- Government policy -- South Africa , Table Mountain National Park (South Africa) , Spatial ecology -- South Africa , Coastal zone management -- South Africa
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/164649 , vital:41152
- Description: In marine protected areas (MPAs), the radically open nature of marine ecosystems, the seemingly contradictory short-term goals of fisheries management (resource use) and conservation efforts (biodiversity protection), the variety of stakeholders, and the inherently political nature of space ha ve contributed to a disconnect between policy and practice. Many groups operate in an MPA at various spatial and socio-political scales, from national government bodies to local community groups, as such an MPA can be viewed as a complex, multi-scale and multi-level social-ecological system (SES). A greater understanding of the multi-scale processes driving the spatial resilience of SES can help address scale mismatches between continuous ecological change and the long-term governance of a seascape. South Africa has a long history of spaces and natural resources being politicised and faces high levels of unemployment and political frustration. Marine governance has been characterised as being siloed, lacking transparency regarding government processes and even between departments, and not properly addressing the needs of local communities; resulting in scale and level mismatches throughout the multi-scale processes (from national policies to local regulations)therefore, it is pertinent to understand the interactions between various national policies, their implementation, and their impacts. Using a spatial resilience lens, I set out to understand scale alignment in South Africa’s marine governance systems as it relates to MPAs. A spatial resilience lens emphasises analysis of both spatial and temporal scales, thus highlighting the multi-scale variables and interactions that occur within a system. I first sought to understand the policy and management across national and regional scales by conducting a series of semi-structured interviews with experts which were analysed using thematic analysis. I then approached the question of alignment from a local to national scale by using the Table Mountain National Park Marine Protected Area as a case study, here I carried out a series of workshops and interviews with line fishers, women’s groups, and eco-tourism operators from three different communities. Experts identified six themes when describing the structure of gove rnance in South African MPAs; they consisted of: government departments and marine legislation, management level factors, communication and information sharing, local level factors, biophysical factors, and scale. Communication and information sharing was the most mentioned referenced theme (40.26 %). The relationships between the communities and other actors (i.e. how communities are impacted, or impact on, the Department of Environmental Affairs , the Department of Agriculture Forestry and Fisheries, and Park Authorities) contributed 67.27 % to the total number of mentions, 91 % of which were from the following themes: communication and information sharing, local level factors, biophysical factors, and scale. My results indicate that weak, top-down relationships dominate the governance system in South Africa. During the Cape Town workshops I applied the spatial resilience lens in three ways. Firstly, the participants collaborated on a mapping exercise discussing the existing zone types within the MPA, as well as developing their own. There was an 87.87 % overlap of community designed zones on the existing MPA zones, however the types of zones designed by the community were different. Secondly, I carried out a document analysis and used information from the workshops to analyse the status and rights designation of important species for different user groups. The results show that the various stakeholder groups, while all active in the marine environment, interact with the ecosystem at different scales and with differing species. The differing interactions between groups result in challenges such as representation and complicated power dynamics between user groups. Finally, I asked participants to discuss factors that affect their ability to gain a livelihood from the sea. The external elements and their effects differed between the user groups, identifying important socio-political interactions. Whilst the external elements were all geographically distinct and localised, the spatial resilience lens allowed for a cross-scale, and to a certain extent cross-sector, understanding of these elements thus producing a more holistic understanding. My thesis shows that user groups operate on different spatial scales within the marine environment as a result of social, economic, and political influences leading to several scale-based challenges. The identified scale-based challenges have contributed to misalignments in marine governance in South Africa. My study shows that scale mismatches have important implications for understanding how marine policy influences user groups and identified pathways that affected policy implementation , and identifies future research application of a spatial resilience lens within social-ecological systems, for example it’s potential use in understanding the gendered nature of MPAs
- Full Text:
- Date Issued: 2020
- Authors: Hardisty, Shannon
- Date: 2020
- Subjects: Marine parks and reserves -- South Africa , Marine parks and reserves -- South Africa -- Management , Marine parks and reserves -- Government policy -- South Africa , Table Mountain National Park (South Africa) , Spatial ecology -- South Africa , Coastal zone management -- South Africa
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/164649 , vital:41152
- Description: In marine protected areas (MPAs), the radically open nature of marine ecosystems, the seemingly contradictory short-term goals of fisheries management (resource use) and conservation efforts (biodiversity protection), the variety of stakeholders, and the inherently political nature of space ha ve contributed to a disconnect between policy and practice. Many groups operate in an MPA at various spatial and socio-political scales, from national government bodies to local community groups, as such an MPA can be viewed as a complex, multi-scale and multi-level social-ecological system (SES). A greater understanding of the multi-scale processes driving the spatial resilience of SES can help address scale mismatches between continuous ecological change and the long-term governance of a seascape. South Africa has a long history of spaces and natural resources being politicised and faces high levels of unemployment and political frustration. Marine governance has been characterised as being siloed, lacking transparency regarding government processes and even between departments, and not properly addressing the needs of local communities; resulting in scale and level mismatches throughout the multi-scale processes (from national policies to local regulations)therefore, it is pertinent to understand the interactions between various national policies, their implementation, and their impacts. Using a spatial resilience lens, I set out to understand scale alignment in South Africa’s marine governance systems as it relates to MPAs. A spatial resilience lens emphasises analysis of both spatial and temporal scales, thus highlighting the multi-scale variables and interactions that occur within a system. I first sought to understand the policy and management across national and regional scales by conducting a series of semi-structured interviews with experts which were analysed using thematic analysis. I then approached the question of alignment from a local to national scale by using the Table Mountain National Park Marine Protected Area as a case study, here I carried out a series of workshops and interviews with line fishers, women’s groups, and eco-tourism operators from three different communities. Experts identified six themes when describing the structure of gove rnance in South African MPAs; they consisted of: government departments and marine legislation, management level factors, communication and information sharing, local level factors, biophysical factors, and scale. Communication and information sharing was the most mentioned referenced theme (40.26 %). The relationships between the communities and other actors (i.e. how communities are impacted, or impact on, the Department of Environmental Affairs , the Department of Agriculture Forestry and Fisheries, and Park Authorities) contributed 67.27 % to the total number of mentions, 91 % of which were from the following themes: communication and information sharing, local level factors, biophysical factors, and scale. My results indicate that weak, top-down relationships dominate the governance system in South Africa. During the Cape Town workshops I applied the spatial resilience lens in three ways. Firstly, the participants collaborated on a mapping exercise discussing the existing zone types within the MPA, as well as developing their own. There was an 87.87 % overlap of community designed zones on the existing MPA zones, however the types of zones designed by the community were different. Secondly, I carried out a document analysis and used information from the workshops to analyse the status and rights designation of important species for different user groups. The results show that the various stakeholder groups, while all active in the marine environment, interact with the ecosystem at different scales and with differing species. The differing interactions between groups result in challenges such as representation and complicated power dynamics between user groups. Finally, I asked participants to discuss factors that affect their ability to gain a livelihood from the sea. The external elements and their effects differed between the user groups, identifying important socio-political interactions. Whilst the external elements were all geographically distinct and localised, the spatial resilience lens allowed for a cross-scale, and to a certain extent cross-sector, understanding of these elements thus producing a more holistic understanding. My thesis shows that user groups operate on different spatial scales within the marine environment as a result of social, economic, and political influences leading to several scale-based challenges. The identified scale-based challenges have contributed to misalignments in marine governance in South Africa. My study shows that scale mismatches have important implications for understanding how marine policy influences user groups and identified pathways that affected policy implementation , and identifies future research application of a spatial resilience lens within social-ecological systems, for example it’s potential use in understanding the gendered nature of MPAs
- Full Text:
- Date Issued: 2020
Azadipyrromethenes for applications in photodynamic antimicrobial chemotherapy, photodynamic therapy and optical limiting
- Authors: Dubazana, Nadine
- Date: 2020
- Subjects: Dyes and dyeing -- Chemistry , Photochemotherapy , Cancer -- Photochemotherapy , Anti-infective agents , Staphylococcus aureus , Nonlinear optics , Azadipyrromethenes , BODIPY
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/166150 , vital:41333
- Description: Azadipyrromethenes, azaBODIPYs and zinc azadipyrromethene complexes were prepared and characterised to examine the effect on their photophysical properties of incorporating phenyl groups at the 1,3,5,7-positions with electron-donating and withdrawing groups at the para-positions. To enhance their ability to generate singlet oxygen, appropriate structural modifications were made through the addition of a Zn(II) ion or halogenation at the 2,6 positions. In vitro photodynamic therapy (PDT) studies targeting MCF-7 human breast cancer cells were carried out. To evaluate and understand the effectiveness of the dyes as photosensitisers, cellular uptake, phototoxicity and the half-maximal inhibitory concentration (IC50) values were analysed. Photodynamic antimicrobial chemotherapy (PACT) studies were also carried out to study the effectiveness of the dyes against Staphylococcus aureus (S. aureus). Dyes with donor-π-acceptor (D-π-A) properties were synthesised and tested against the second harmonic of the Nd:YAG laser in optical limiting (OL) studies. The second-order hyperpolarisability, third-order susceptibility and nonlinear absorption coefficient values were determined. The results suggest that 1,3,5,7-azaBODIPY dyes may be less suitable for use in this context than analogous D-π-A 3,5-distyrylBODIPY dyes. Molecular modelling was carried out to identify the structure-property relationships of the synthesised dyes by analysing trends in the energies of the frontier molecular orbitals (MOs) and spectroscopic properties.
- Full Text:
- Date Issued: 2020
- Authors: Dubazana, Nadine
- Date: 2020
- Subjects: Dyes and dyeing -- Chemistry , Photochemotherapy , Cancer -- Photochemotherapy , Anti-infective agents , Staphylococcus aureus , Nonlinear optics , Azadipyrromethenes , BODIPY
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/166150 , vital:41333
- Description: Azadipyrromethenes, azaBODIPYs and zinc azadipyrromethene complexes were prepared and characterised to examine the effect on their photophysical properties of incorporating phenyl groups at the 1,3,5,7-positions with electron-donating and withdrawing groups at the para-positions. To enhance their ability to generate singlet oxygen, appropriate structural modifications were made through the addition of a Zn(II) ion or halogenation at the 2,6 positions. In vitro photodynamic therapy (PDT) studies targeting MCF-7 human breast cancer cells were carried out. To evaluate and understand the effectiveness of the dyes as photosensitisers, cellular uptake, phototoxicity and the half-maximal inhibitory concentration (IC50) values were analysed. Photodynamic antimicrobial chemotherapy (PACT) studies were also carried out to study the effectiveness of the dyes against Staphylococcus aureus (S. aureus). Dyes with donor-π-acceptor (D-π-A) properties were synthesised and tested against the second harmonic of the Nd:YAG laser in optical limiting (OL) studies. The second-order hyperpolarisability, third-order susceptibility and nonlinear absorption coefficient values were determined. The results suggest that 1,3,5,7-azaBODIPY dyes may be less suitable for use in this context than analogous D-π-A 3,5-distyrylBODIPY dyes. Molecular modelling was carried out to identify the structure-property relationships of the synthesised dyes by analysing trends in the energies of the frontier molecular orbitals (MOs) and spectroscopic properties.
- Full Text:
- Date Issued: 2020
Structure and interaction studies of beta-amyloid in the search for new lead compounds for the treatment of Alzheimer’s disease
- Authors: Mtini, Onke
- Date: 2020
- Subjects: Alzheimer's disease -- Chemotherapy , Alzheimer's disease -- Treatment , Amyloid beta-protein , Oxidative stress , Protein binding , South African Natural Compounds Database
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/167574 , vital:41493
- Description: Alzheimer’s disease (AD) is the most devastating neurodegenerative disorder that effects the aging population worldwide. In this study three hypotheses of AD are explored, the β-amyloid cascade hypothesis, the β-amyloid metal binding hypothesis and the oxidative stress hypothesis are explored. In the first case compounds from the South African Natural Compounds Database (SANCDB) are docked to models of β-amyloid fibrils and the properties of these fibrils under pulling simulations are compared to a known small molecule disruptor of β-amyloid, wgx-50. In these simulations SANCDB compounds are identified that disrupt β-amyloid in a similar manner to wgx-50. In these simulations the disruption to the free energy of binding of chains to the fibrils is quantified. For metal binding and oxidative stress hypotheses, problems in simulation arise due to only fragments of β-amyloid being present in the Research Collaboratory for Structural Bioinformatics protein data bank (RCSB PDB), as determined from NMR experiments. In this work, β-amyloid is set up under periodic boundary conditions to simulate a fibril under reasonable computational time. Within these periodic boundary conditions, β-amyloid has been solvated in copper and zinc rich environments and diffusion of these metals around the fibrils has been explored. The localization of these metals (in simulation only using van der Waal’s and electrostatic terms) around the fibril has led us to explore other possible metal binding sites. Metal bound to the infinite fibril has been optimized at the QM/MM level and some of the reactive oxygen species in the presence of the fibril are quantified.
- Full Text:
- Date Issued: 2020
- Authors: Mtini, Onke
- Date: 2020
- Subjects: Alzheimer's disease -- Chemotherapy , Alzheimer's disease -- Treatment , Amyloid beta-protein , Oxidative stress , Protein binding , South African Natural Compounds Database
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/167574 , vital:41493
- Description: Alzheimer’s disease (AD) is the most devastating neurodegenerative disorder that effects the aging population worldwide. In this study three hypotheses of AD are explored, the β-amyloid cascade hypothesis, the β-amyloid metal binding hypothesis and the oxidative stress hypothesis are explored. In the first case compounds from the South African Natural Compounds Database (SANCDB) are docked to models of β-amyloid fibrils and the properties of these fibrils under pulling simulations are compared to a known small molecule disruptor of β-amyloid, wgx-50. In these simulations SANCDB compounds are identified that disrupt β-amyloid in a similar manner to wgx-50. In these simulations the disruption to the free energy of binding of chains to the fibrils is quantified. For metal binding and oxidative stress hypotheses, problems in simulation arise due to only fragments of β-amyloid being present in the Research Collaboratory for Structural Bioinformatics protein data bank (RCSB PDB), as determined from NMR experiments. In this work, β-amyloid is set up under periodic boundary conditions to simulate a fibril under reasonable computational time. Within these periodic boundary conditions, β-amyloid has been solvated in copper and zinc rich environments and diffusion of these metals around the fibrils has been explored. The localization of these metals (in simulation only using van der Waal’s and electrostatic terms) around the fibril has led us to explore other possible metal binding sites. Metal bound to the infinite fibril has been optimized at the QM/MM level and some of the reactive oxygen species in the presence of the fibril are quantified.
- Full Text:
- Date Issued: 2020
Understanding of the underlying resistance mechanism of the Kat-G protein against isoniazid in Mycobacterium tuberculosis using bioinformatics approaches
- Authors: Barozi, Victor
- Date: 2020
- Subjects: Mycobacterium tuberculosis , Isoniazid , Drug resistance in microorganisms , Proteins -- Microbiology
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/146592 , vital:38540
- Description: Tuberculosis (TB) is a multi-organ infection caused by rod-shaped acid-fast Mycobacterium tuberculosis. The World Health Organization (WHO) ranks TB among the top 10 fatal infections and the leading the cause of death from a single infection. In 2017, TB was responsible for an estimated 1.3 million deaths among both the HIV negative and positive populations worldwide (WHO, 2018). Approximately 23% (roughly 1.7 billion) of the world’s population is estimated to have latent TB with a high risk of reverting to active TB infection. In 2017, an estimated 558,000 people developed drug resistant TB worldwide with 82% of the cases being multi-drug resistant TB (WHO, 2018). South Africa is ranked among the 30 high TB burdened countries with a TB incidence of 322,000 cases in 2017 accounting for 3% of the world’s TB cases. TB is curable and is clinically managed through a combination of intensive and continuation phases of first-line drugs (isoniazid, rifampicin, ethambutol, and pyrazinamide). Second-line drugs which include fluoroquinolones, injectable aminoglycoside and injectable polypeptides are used in cases of first line drug resistance. The third-line drugs include amoxicillin, clofazimine, linezolid and imipenem. These have variable but unproven efficacy to TB and are the last resort in cases of total drug resistance (Jilani et al., 2019). TB drug resistance to first-line drugs especially isoniazid in M. tuberculosis has been attributed to single nucleotide polymorphisms (SNPs) in the catalase peroxidase enzyme (katG), a protein important in the activation of the pro-drug isoniazid. The SNPs especially at position 315 of the katG enzyme are believed to reduce the sensitivity of the M. tuberculosis to isoniazid while still maintaining the enzyme’s catalytic activity - a mechanism not completely understood. KatG protein is important for protecting the bacteria from hydro peroxides and hydroxyl radicals present in an aerobic environment. This study focused on understanding the mechanism of isoniazid drug resistance in M. tuberculosis as a result of high confidence mutations in the katG through modelling the enzyme with its respective variants, performing MD simulations to explore the protein behaviour, calculating the dynamic residue network analysis (DRN) of the variants in respect to the wild type katG and finally performing alanine scanning. From the MD simulations, it was observed that the high confidence mutations i.e. S140R, S140N, G279D, G285D, S315T, S315I, S315R, S315N, G316D, S457I and G593D were not only reducing the backbone flexibility of the protein but also reducing the protein’s conformational variation and space. All the variant protein structures were observed to be more compact compared to the wild type. Residue fluctuation results indicated reduced residue flexibility across all variants in the loop region (position 26-110) responsible for katG dimerization. In addition, mutation S315T is believed to reduce the size of the active site access channel in the protein. From the DRN data, residues in the interface region between the N and C-terminal domains were observed to gain importance in the variants irrespective of the mutation location indicating an allosteric effect of the mutations on the interface region. Alanine scanning results established that residue Leucine at position 48 was not only important in the protein communication but also a destabilizing residue across all the variants. The study not only demonstrated change in the protein behaviour but also showed allosteric effect of the mutations in the katG protein.
- Full Text:
- Date Issued: 2020
- Authors: Barozi, Victor
- Date: 2020
- Subjects: Mycobacterium tuberculosis , Isoniazid , Drug resistance in microorganisms , Proteins -- Microbiology
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/146592 , vital:38540
- Description: Tuberculosis (TB) is a multi-organ infection caused by rod-shaped acid-fast Mycobacterium tuberculosis. The World Health Organization (WHO) ranks TB among the top 10 fatal infections and the leading the cause of death from a single infection. In 2017, TB was responsible for an estimated 1.3 million deaths among both the HIV negative and positive populations worldwide (WHO, 2018). Approximately 23% (roughly 1.7 billion) of the world’s population is estimated to have latent TB with a high risk of reverting to active TB infection. In 2017, an estimated 558,000 people developed drug resistant TB worldwide with 82% of the cases being multi-drug resistant TB (WHO, 2018). South Africa is ranked among the 30 high TB burdened countries with a TB incidence of 322,000 cases in 2017 accounting for 3% of the world’s TB cases. TB is curable and is clinically managed through a combination of intensive and continuation phases of first-line drugs (isoniazid, rifampicin, ethambutol, and pyrazinamide). Second-line drugs which include fluoroquinolones, injectable aminoglycoside and injectable polypeptides are used in cases of first line drug resistance. The third-line drugs include amoxicillin, clofazimine, linezolid and imipenem. These have variable but unproven efficacy to TB and are the last resort in cases of total drug resistance (Jilani et al., 2019). TB drug resistance to first-line drugs especially isoniazid in M. tuberculosis has been attributed to single nucleotide polymorphisms (SNPs) in the catalase peroxidase enzyme (katG), a protein important in the activation of the pro-drug isoniazid. The SNPs especially at position 315 of the katG enzyme are believed to reduce the sensitivity of the M. tuberculosis to isoniazid while still maintaining the enzyme’s catalytic activity - a mechanism not completely understood. KatG protein is important for protecting the bacteria from hydro peroxides and hydroxyl radicals present in an aerobic environment. This study focused on understanding the mechanism of isoniazid drug resistance in M. tuberculosis as a result of high confidence mutations in the katG through modelling the enzyme with its respective variants, performing MD simulations to explore the protein behaviour, calculating the dynamic residue network analysis (DRN) of the variants in respect to the wild type katG and finally performing alanine scanning. From the MD simulations, it was observed that the high confidence mutations i.e. S140R, S140N, G279D, G285D, S315T, S315I, S315R, S315N, G316D, S457I and G593D were not only reducing the backbone flexibility of the protein but also reducing the protein’s conformational variation and space. All the variant protein structures were observed to be more compact compared to the wild type. Residue fluctuation results indicated reduced residue flexibility across all variants in the loop region (position 26-110) responsible for katG dimerization. In addition, mutation S315T is believed to reduce the size of the active site access channel in the protein. From the DRN data, residues in the interface region between the N and C-terminal domains were observed to gain importance in the variants irrespective of the mutation location indicating an allosteric effect of the mutations on the interface region. Alanine scanning results established that residue Leucine at position 48 was not only important in the protein communication but also a destabilizing residue across all the variants. The study not only demonstrated change in the protein behaviour but also showed allosteric effect of the mutations in the katG protein.
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- Date Issued: 2020