Metallophthalocyanines linked to metal nanoparticles and folic acid for use in photodynamic therapy of cancer and photoinactivation of bacterial microorganisms.
- Authors: Matlou, Gauta Gold
- Date: 2020
- Subjects: Cancer -- Photochemotherapy , Nanoparticles , Phthalocyanines , Anti-infective agents -- Therapeutic use , Photochemotherapy , Photochemistry
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/166540 , vital:41377
- Description: This thesis presents on the synthesis and characterization of novel asymmetric and symmetrical metallophthalocyanines (MPcs) substituted with carboxylic acid functional groups and centrally metallated with zinc and indium. The MPcs are further covalently linked to cysteine capped silver nanoparticles (cys-AgNPs), amino functionalized magnetic nanoparticles (AMNPs) and folic acid (FA) through an amide bond between the carboxylic group of MPcs and the amino group of FA, cys-AgNPs or AMNPs. The covalent linkage of MPcs to FA improved the water solubility of MPcs and allowed for singlet oxygen quantum yield determination in water. Asymmetric MPcs and their conjugates were found to have improved photochemical and photophysical properties compared to symmetrical MPcs and their conjugates. The heavy atom effect of AMNPs and AgNPs improved the triplet and singlet oxygen quantum yields of MPcs. MPcs and their conjugates (MPc-FA, MPc-AMNPs, MPc-AgNPs) were found to have lower in vitro dark cytotoxicity and higher photodynamic therapy (PDT) activity on MCF-7 breast cancer cells. The water soluble MPc-FA had better PDT activity when compared to MPc-AMNPs due to the active targeting of folic acid-folate binding on cancer cell surface. MPcs and MPc-AgNPs conjugates also showed excellent in vitro cytotoxicity on S. aureus under light irradiation compared to dark cytotoxicity. The photosensitizing properties of MPcs and their conjugates are demonstrated for the first time in this thesis, both on breast cancer cells (MCF-7) through photodynamic therapy and on microorganisms (S. aureus) through photodynamic antimicrobial chemotherapy.
- Full Text:
- Date Issued: 2020
- Authors: Matlou, Gauta Gold
- Date: 2020
- Subjects: Cancer -- Photochemotherapy , Nanoparticles , Phthalocyanines , Anti-infective agents -- Therapeutic use , Photochemotherapy , Photochemistry
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/166540 , vital:41377
- Description: This thesis presents on the synthesis and characterization of novel asymmetric and symmetrical metallophthalocyanines (MPcs) substituted with carboxylic acid functional groups and centrally metallated with zinc and indium. The MPcs are further covalently linked to cysteine capped silver nanoparticles (cys-AgNPs), amino functionalized magnetic nanoparticles (AMNPs) and folic acid (FA) through an amide bond between the carboxylic group of MPcs and the amino group of FA, cys-AgNPs or AMNPs. The covalent linkage of MPcs to FA improved the water solubility of MPcs and allowed for singlet oxygen quantum yield determination in water. Asymmetric MPcs and their conjugates were found to have improved photochemical and photophysical properties compared to symmetrical MPcs and their conjugates. The heavy atom effect of AMNPs and AgNPs improved the triplet and singlet oxygen quantum yields of MPcs. MPcs and their conjugates (MPc-FA, MPc-AMNPs, MPc-AgNPs) were found to have lower in vitro dark cytotoxicity and higher photodynamic therapy (PDT) activity on MCF-7 breast cancer cells. The water soluble MPc-FA had better PDT activity when compared to MPc-AMNPs due to the active targeting of folic acid-folate binding on cancer cell surface. MPcs and MPc-AgNPs conjugates also showed excellent in vitro cytotoxicity on S. aureus under light irradiation compared to dark cytotoxicity. The photosensitizing properties of MPcs and their conjugates are demonstrated for the first time in this thesis, both on breast cancer cells (MCF-7) through photodynamic therapy and on microorganisms (S. aureus) through photodynamic antimicrobial chemotherapy.
- Full Text:
- Date Issued: 2020
Mineralogy, geochemistry and origin of the Neoproterozoic Xaudum iron-formation in Botswana
- Authors: Ntantiso, Mawande
- Date: 2020
- Subjects: Xaudum iron-formation , Iron ores -- Botswana , Formations (Geology) -- Botswana , Mineralogy -- Botswana , Paleoclimatology -- Proterozoic
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/167211 , vital:41447
- Description: Banded iron-formations (BIF) formed in three different geological periods in the Earth’s history, namely the Archean, Paleoproterozoic and Neoproterozoic. Each of these periods has a corresponding index BIF type attributed to them. The oldest is the Archean Algoma-type BIF which is typically dominated by smaller-volume BIF deposits associated with volcanic rocks and greenstone belts. The next is the volumetrically far more abundant Superior-type BIF of the Paleoproterozoic lacking any obvious volcanic relation. The youngest BIFs were deposited after a hiatus of a billion years in the Neoproterozoic and are believed to be genetically linked to Marinoan ice-age. The global re-introduction and distribution of BIF in the Neoproterozoic highlights a shift in the Earth’s tectonics, climate, biosphere and ocean chemistry from the older Archean and Paleoproterozoic counterparts. Various models have been postulated by researchers in attempts to explain how Neoproterozoic iron-formations formed. In all the available models, the Snowball Earth Hypothesis initially proposed by Kirshvink (1992) is an overarching concept. In this study, four cores from the Neoproterozoic Xaudum iron-formation (XIF) in Ngamiland, northwest of Botswana, were sampled and analysed following a partnership between Postgraduate Research in Iron and Manganese Ore Resources (PRIMOR) and Tsodilo Resources Ltd. The study sets out to explore the mineralogy and chemistry of XIF in order to determine its origin, constrain the redox conditions in the paleo-basin, assess it in the context of other Neoproterozoic iron-formations and older Archean and Paleoproterozoic iron-formations, and inform metallurgical processing. The mineralogy of XIF consists of magnetite, quartz, amphibole, garnet, biotite and chlorite in decreasing abundance. This mineral assemblage is characteristic of medium grade metamorphosed iron-formations. Algoma and Superior-type BIFs which experienced late-diagenetic and very low-grade metamorphism have a complex mineral assemblage consisting of hematite, magnetite, quartz, and several carbonate (dolomite-ankerite series and siderite) and silicate phases (greenalite, riebeckite and stilpnomelane). The geochemical results show that XIF has higher Mn3O4 and Al2O3 average contents when compared to Algoma and Superior type BIF. The detrital components in XIF correlate with High Field Strength Elements (HFSE) suggesting increased delivery of siliciclastic material during deposition. This trend is comparable to other NIF deposits suggesting a global high input of siliciclastic material into Neoproterozoic paleodepositional environments. This trend is different from Archean and Paleoproterozoic BIF deposits which are close to pure chemical sediments lacking measurable detrital contributions. In the XIF, bulk-rock Mn3O4 and Al2O3 in drillcore SW have higher averages of 2.4 and 2.6 wt. % respectively, compared to the other three cores. The Mn3O4 shows a positive statistical relationship with Co, suggesting that Neoproterozoic oceans and atmosphere were possibly more oxic than in the Archean and Paleoproterozoic. The Mn3O4 shows an antithetic relationship with Fe2O3 suggesting that the paleobasin was chemically heterogeneous in terms of redox conditions, with Fe2O3 depositing presumably in deeper parts removed from a detrital source, and Mn3O4 depositing possibly more proximal to a paleo-shoreline in a shallower setting where there was higher delivery of siliciclastic material from the continent due to correspondingly higher Al2O3 and TiO2 contents. The REE patterns of XIF show positive-sloping trends of depletion in LREE and enrichment in HREE which resemble those of seawater. However, the REE slope becomes a lot flatter and resembles closer the signature of PAAS and adjacent diamictite facies, which agrees with the idea of high siliciclastic input in the paleobasin comparable to other NIF. XIF also appears to lack clear Ce or Eu anomalies. The lack of the former points to the oceans possibly not being oxic enough to drive the fractionation of Ce into Mn oxides like in the modern oceans, or that the Ce behaviour is obscured by the high siliciclastic input in XIF. Similarly, the lack of positive Eu anomaly shows a weak to absent hydrothermal signal into to modern shallow seawater where Fe and Si were sourced, or detritally derived REE contamination. Extensive weathering under hot and humid climate during glacial retreat is shown by the low K2O/Al2O3 ratios and high CIA values ranging from 80-99. Re-glaciation signifies the return of cold and arid and it is represented by high K2O/Al2O3 ratios and low CIA values ranging from 64-78. The previous genetic models of NIF by Klein (1993), Baldwin et al. (2012) and Lechte and Wallace (2015) provide an essential foundation for the development of a XIF genetic model. The genetic model of XIF proposes deposition on an open continental shelf characterized by a steady influx of detrital material. The seawater has been anoxic since the Paleoproterozoic and further induced by basin stagnation due to the ice covering the basin. Two overlapping oxidative stages are assumed for the precipitation of Fe and Mn across lateral redox gradients in the paleobasin. The exact oxidative pathways and mechanisms for the above processes remains unconstrained.
- Full Text:
- Date Issued: 2020
- Authors: Ntantiso, Mawande
- Date: 2020
- Subjects: Xaudum iron-formation , Iron ores -- Botswana , Formations (Geology) -- Botswana , Mineralogy -- Botswana , Paleoclimatology -- Proterozoic
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/167211 , vital:41447
- Description: Banded iron-formations (BIF) formed in three different geological periods in the Earth’s history, namely the Archean, Paleoproterozoic and Neoproterozoic. Each of these periods has a corresponding index BIF type attributed to them. The oldest is the Archean Algoma-type BIF which is typically dominated by smaller-volume BIF deposits associated with volcanic rocks and greenstone belts. The next is the volumetrically far more abundant Superior-type BIF of the Paleoproterozoic lacking any obvious volcanic relation. The youngest BIFs were deposited after a hiatus of a billion years in the Neoproterozoic and are believed to be genetically linked to Marinoan ice-age. The global re-introduction and distribution of BIF in the Neoproterozoic highlights a shift in the Earth’s tectonics, climate, biosphere and ocean chemistry from the older Archean and Paleoproterozoic counterparts. Various models have been postulated by researchers in attempts to explain how Neoproterozoic iron-formations formed. In all the available models, the Snowball Earth Hypothesis initially proposed by Kirshvink (1992) is an overarching concept. In this study, four cores from the Neoproterozoic Xaudum iron-formation (XIF) in Ngamiland, northwest of Botswana, were sampled and analysed following a partnership between Postgraduate Research in Iron and Manganese Ore Resources (PRIMOR) and Tsodilo Resources Ltd. The study sets out to explore the mineralogy and chemistry of XIF in order to determine its origin, constrain the redox conditions in the paleo-basin, assess it in the context of other Neoproterozoic iron-formations and older Archean and Paleoproterozoic iron-formations, and inform metallurgical processing. The mineralogy of XIF consists of magnetite, quartz, amphibole, garnet, biotite and chlorite in decreasing abundance. This mineral assemblage is characteristic of medium grade metamorphosed iron-formations. Algoma and Superior-type BIFs which experienced late-diagenetic and very low-grade metamorphism have a complex mineral assemblage consisting of hematite, magnetite, quartz, and several carbonate (dolomite-ankerite series and siderite) and silicate phases (greenalite, riebeckite and stilpnomelane). The geochemical results show that XIF has higher Mn3O4 and Al2O3 average contents when compared to Algoma and Superior type BIF. The detrital components in XIF correlate with High Field Strength Elements (HFSE) suggesting increased delivery of siliciclastic material during deposition. This trend is comparable to other NIF deposits suggesting a global high input of siliciclastic material into Neoproterozoic paleodepositional environments. This trend is different from Archean and Paleoproterozoic BIF deposits which are close to pure chemical sediments lacking measurable detrital contributions. In the XIF, bulk-rock Mn3O4 and Al2O3 in drillcore SW have higher averages of 2.4 and 2.6 wt. % respectively, compared to the other three cores. The Mn3O4 shows a positive statistical relationship with Co, suggesting that Neoproterozoic oceans and atmosphere were possibly more oxic than in the Archean and Paleoproterozoic. The Mn3O4 shows an antithetic relationship with Fe2O3 suggesting that the paleobasin was chemically heterogeneous in terms of redox conditions, with Fe2O3 depositing presumably in deeper parts removed from a detrital source, and Mn3O4 depositing possibly more proximal to a paleo-shoreline in a shallower setting where there was higher delivery of siliciclastic material from the continent due to correspondingly higher Al2O3 and TiO2 contents. The REE patterns of XIF show positive-sloping trends of depletion in LREE and enrichment in HREE which resemble those of seawater. However, the REE slope becomes a lot flatter and resembles closer the signature of PAAS and adjacent diamictite facies, which agrees with the idea of high siliciclastic input in the paleobasin comparable to other NIF. XIF also appears to lack clear Ce or Eu anomalies. The lack of the former points to the oceans possibly not being oxic enough to drive the fractionation of Ce into Mn oxides like in the modern oceans, or that the Ce behaviour is obscured by the high siliciclastic input in XIF. Similarly, the lack of positive Eu anomaly shows a weak to absent hydrothermal signal into to modern shallow seawater where Fe and Si were sourced, or detritally derived REE contamination. Extensive weathering under hot and humid climate during glacial retreat is shown by the low K2O/Al2O3 ratios and high CIA values ranging from 80-99. Re-glaciation signifies the return of cold and arid and it is represented by high K2O/Al2O3 ratios and low CIA values ranging from 64-78. The previous genetic models of NIF by Klein (1993), Baldwin et al. (2012) and Lechte and Wallace (2015) provide an essential foundation for the development of a XIF genetic model. The genetic model of XIF proposes deposition on an open continental shelf characterized by a steady influx of detrital material. The seawater has been anoxic since the Paleoproterozoic and further induced by basin stagnation due to the ice covering the basin. Two overlapping oxidative stages are assumed for the precipitation of Fe and Mn across lateral redox gradients in the paleobasin. The exact oxidative pathways and mechanisms for the above processes remains unconstrained.
- 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: Carlisle, Tanya
- Date: 2020
- Subjects: Alzheimer's disease -- Treatment , Alzheimer's disease -- Molecular aspects , Amyloid beta-protein precurs , Amyloid beta-protein
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/140025 , vital:37825
- Description: The World Alzheimer Report statedin 2016 that approximately 46.8 million people were living with dementia and this figure is expected to triple by 2050. Alzheimer’s Disease was discovered to be a precursor to dementia in 1976 and since then efforts to understand Alzheimer’s have been prioritized. To date, there are very few effective forms of treatment for Alzheimer’s, many are known to offer only mild calming of the symptoms and have side effects such as diarrhea, nausea, loss of appetite and sleep disturbances. This has been due to lack of understanding on how Alzheimer’s is caused. With the two main hallmarks of the disease now being more understood it has opened the doorway into the discovery of new treatments for this disease. This study focuses on the hallmark involving the aggregation of the β-amyloid protein to form plaques surrounding the neurons of the brain. Copper, Zinc and Iron have also been found in high concentrations in and surrounding these plaques. This study focused on the screening of the South African Natural Compound database (SANCDB) to discover hits that have potential destabilizing action against the Beta-amyloid aggregate. If one of these compounds could prove to have destabilizing action on the aggregate it could open the doorway to new potential forms of treatment. Over 700 SANCDB compounds were docked, and the top hits were taken to molecular dynamics to further study the interactions of the compounds and the aggregate. However, the hits identified had strong binding to the aggregate causing it to become stable instead of the desired effect of destabilizing the structure. This information, however, does not rule out the possibility of these compounds preventing the formation of the aggregates. Further, interactions of copper with β-amyloid and copper were determined by solubilizing the aggregate and introducing copper ions in a dynamics simulation. Possible interactions between copper and the methionine residues were visualised.
- Full Text:
- Date Issued: 2020
- Authors: Carlisle, Tanya
- Date: 2020
- Subjects: Alzheimer's disease -- Treatment , Alzheimer's disease -- Molecular aspects , Amyloid beta-protein precurs , Amyloid beta-protein
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/140025 , vital:37825
- Description: The World Alzheimer Report statedin 2016 that approximately 46.8 million people were living with dementia and this figure is expected to triple by 2050. Alzheimer’s Disease was discovered to be a precursor to dementia in 1976 and since then efforts to understand Alzheimer’s have been prioritized. To date, there are very few effective forms of treatment for Alzheimer’s, many are known to offer only mild calming of the symptoms and have side effects such as diarrhea, nausea, loss of appetite and sleep disturbances. This has been due to lack of understanding on how Alzheimer’s is caused. With the two main hallmarks of the disease now being more understood it has opened the doorway into the discovery of new treatments for this disease. This study focuses on the hallmark involving the aggregation of the β-amyloid protein to form plaques surrounding the neurons of the brain. Copper, Zinc and Iron have also been found in high concentrations in and surrounding these plaques. This study focused on the screening of the South African Natural Compound database (SANCDB) to discover hits that have potential destabilizing action against the Beta-amyloid aggregate. If one of these compounds could prove to have destabilizing action on the aggregate it could open the doorway to new potential forms of treatment. Over 700 SANCDB compounds were docked, and the top hits were taken to molecular dynamics to further study the interactions of the compounds and the aggregate. However, the hits identified had strong binding to the aggregate causing it to become stable instead of the desired effect of destabilizing the structure. This information, however, does not rule out the possibility of these compounds preventing the formation of the aggregates. Further, interactions of copper with β-amyloid and copper were determined by solubilizing the aggregate and introducing copper ions in a dynamics simulation. Possible interactions between copper and the methionine residues were visualised.
- 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
Nutrient removal and biofuel potential of MaB-floc biomass from an integrated algal pond system treating domestic sewage
- Authors: Sibelo, Linda
- Date: 2020
- Subjects: Biomass energy , Waste products as fuel , Algal biofuels , Sewage -- Purification -- Nutrient removal
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/144955 , vital:38395
- Description: Integrated algal pond systems (IAPS) are a passive water treatment technology derived from the Oswald designed advanced integrated wastewater pond systems (AIWPS®) and effect wastewater treatment based on biological activity of microorganisms within the system, solar energy and gravity. The technology consists of an advanced facultative pond (AFP), a series of interconnected high rate algal oxidation ponds (HRAOP) and algal settling ponds. The symbiotic relationship between microalgae and bacteria facilitated by paddlewheel mixing of HRAOP results in the formation of biomass aggregates known as MaB-flocs. MaB-floc formation enhances nutrient abstraction, gravitational sedimentation and separation from water hence forming two product streams; recyclable water and biomass, both with valorisation potential. This work aimed to determine the suitability of MaB-floc biomass generated in the HRAOP of an IAPS treating domestic sewage as feedstock for biofuel production based on the content of carbohydrate and lipid. Nutrient removal efficiency, biomass productivity and bulk lipid and carbohydrate concentration were monitored for two consecutive three-month periods in the winter and summer seasons of 2018/19. Maximum removal efficiencies of nitrogen and phosphorus were determined as 71% and 75% respectively, demonstrating the efficiency of IAPS as a wastewater treatment technology. MaB-floc biomass productivity in winter and summer was 9.4 g/m2/d and 16.5 g/m2/d respectively indicating the heavy influence of seasonal temperature, possibly day length, and solar irradiation on biomass productivity in the HRAOP. Summer productivity was lower than the maximum theoretical productivity of 25 g/m2/d possibly due to photoinhibition of photosynthesis as well as grazing pressures caused by the proliferation of rotifers mainly of the Brachionus genus. MaB-floc biomass consistently contained higher amounts of carbohydrate than lipid despite the changes in species dominance from Scenedesmus sp. and Desmodesmus sp. in winter to Pediastrum sp. in summer. Variations in MaB-floc biomass carbohydrate content were linked to changes in nitrogen concentration, mainly in the form of nitrates. Lower nitrogen concentration significantly increased the carbohydrate content of MaB-floc biomass from 17.5 ± 0.15% to 33.5 ± 0.3 % recorded in summer. In winter, biomass carbohydrate increased from 18.3 ± 1.2% to 35.8 ± 0.3%.To induce accumulation of carbohydrates through nitrogen starvation, isolated microalgal species native to the HRAOPs of the IAPS at Institute for Environmental Biotechnology Rhodes University(EBRU) were used. The outcome from the laboratory studies showed that carbon partitioning within isolated strains could be altered from carbohydrate to lipid which is more energy-rich. Hence, exploring the biodiesel production option using HRAOP MaB-floc biomass, which had a lipid content ranging between 12.1 ± 0.64 % and 13.9 ± 0.5 %, would require a preconditioning step in the form of nitrogen starvation to enhance its lipid content. Overall, the outcome of outdoor monitoring studies on biomass biochemical composition indicated that HRAOPs operating under natural environmental conditions preferentially generated a biomass rich in carbohydrate. Therefore, anaerobic digestion may be a more viable option for HRAOP MaB-floc biomass because of the high carbohydrate levels ranging between 24.9 ± 0.6 % and 25.6 ± 1.3 % of the dry MaB-floc biomass weight. Despite the low biomass C/N ratio (7.1 to 7.8), the MaB-floc biomass can be anaerobically co-digested with a higher C/N ratio (24) substrate such as in-pond digester sludge, to improve methane yields calculated to be between 0.31 m3 CH4/ kg MaB-floc biomass and 0.33 m3 CH4/ kg MaB-floc biomass. Anaerobic digestion of biomass also produces CO2 which can be recovered and added to HRAOPs to enhance MaB-floc biomass productivity while lowering greenhouse gas emissions from a wastewater treatment plant. The digestate from the anaerobic process, which is rich in nitrogen and phosphorus can be used as a biofertiliser. Thus, a potential MaB-floc biomass biorefinery consisting of biogas and bio-fertiliser pathways can be established using IAPS treating sewage as the platform technology. IAPS is a system designed to operate in a way that is passive and without substantial environmental impact but technological innovations and a reduction in the size of the system are required to make the technology more acceptable.
- Full Text:
- Date Issued: 2020
- Authors: Sibelo, Linda
- Date: 2020
- Subjects: Biomass energy , Waste products as fuel , Algal biofuels , Sewage -- Purification -- Nutrient removal
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/144955 , vital:38395
- Description: Integrated algal pond systems (IAPS) are a passive water treatment technology derived from the Oswald designed advanced integrated wastewater pond systems (AIWPS®) and effect wastewater treatment based on biological activity of microorganisms within the system, solar energy and gravity. The technology consists of an advanced facultative pond (AFP), a series of interconnected high rate algal oxidation ponds (HRAOP) and algal settling ponds. The symbiotic relationship between microalgae and bacteria facilitated by paddlewheel mixing of HRAOP results in the formation of biomass aggregates known as MaB-flocs. MaB-floc formation enhances nutrient abstraction, gravitational sedimentation and separation from water hence forming two product streams; recyclable water and biomass, both with valorisation potential. This work aimed to determine the suitability of MaB-floc biomass generated in the HRAOP of an IAPS treating domestic sewage as feedstock for biofuel production based on the content of carbohydrate and lipid. Nutrient removal efficiency, biomass productivity and bulk lipid and carbohydrate concentration were monitored for two consecutive three-month periods in the winter and summer seasons of 2018/19. Maximum removal efficiencies of nitrogen and phosphorus were determined as 71% and 75% respectively, demonstrating the efficiency of IAPS as a wastewater treatment technology. MaB-floc biomass productivity in winter and summer was 9.4 g/m2/d and 16.5 g/m2/d respectively indicating the heavy influence of seasonal temperature, possibly day length, and solar irradiation on biomass productivity in the HRAOP. Summer productivity was lower than the maximum theoretical productivity of 25 g/m2/d possibly due to photoinhibition of photosynthesis as well as grazing pressures caused by the proliferation of rotifers mainly of the Brachionus genus. MaB-floc biomass consistently contained higher amounts of carbohydrate than lipid despite the changes in species dominance from Scenedesmus sp. and Desmodesmus sp. in winter to Pediastrum sp. in summer. Variations in MaB-floc biomass carbohydrate content were linked to changes in nitrogen concentration, mainly in the form of nitrates. Lower nitrogen concentration significantly increased the carbohydrate content of MaB-floc biomass from 17.5 ± 0.15% to 33.5 ± 0.3 % recorded in summer. In winter, biomass carbohydrate increased from 18.3 ± 1.2% to 35.8 ± 0.3%.To induce accumulation of carbohydrates through nitrogen starvation, isolated microalgal species native to the HRAOPs of the IAPS at Institute for Environmental Biotechnology Rhodes University(EBRU) were used. The outcome from the laboratory studies showed that carbon partitioning within isolated strains could be altered from carbohydrate to lipid which is more energy-rich. Hence, exploring the biodiesel production option using HRAOP MaB-floc biomass, which had a lipid content ranging between 12.1 ± 0.64 % and 13.9 ± 0.5 %, would require a preconditioning step in the form of nitrogen starvation to enhance its lipid content. Overall, the outcome of outdoor monitoring studies on biomass biochemical composition indicated that HRAOPs operating under natural environmental conditions preferentially generated a biomass rich in carbohydrate. Therefore, anaerobic digestion may be a more viable option for HRAOP MaB-floc biomass because of the high carbohydrate levels ranging between 24.9 ± 0.6 % and 25.6 ± 1.3 % of the dry MaB-floc biomass weight. Despite the low biomass C/N ratio (7.1 to 7.8), the MaB-floc biomass can be anaerobically co-digested with a higher C/N ratio (24) substrate such as in-pond digester sludge, to improve methane yields calculated to be between 0.31 m3 CH4/ kg MaB-floc biomass and 0.33 m3 CH4/ kg MaB-floc biomass. Anaerobic digestion of biomass also produces CO2 which can be recovered and added to HRAOPs to enhance MaB-floc biomass productivity while lowering greenhouse gas emissions from a wastewater treatment plant. The digestate from the anaerobic process, which is rich in nitrogen and phosphorus can be used as a biofertiliser. Thus, a potential MaB-floc biomass biorefinery consisting of biogas and bio-fertiliser pathways can be established using IAPS treating sewage as the platform technology. IAPS is a system designed to operate in a way that is passive and without substantial environmental impact but technological innovations and a reduction in the size of the system are required to make the technology more acceptable.
- Full Text:
- Date Issued: 2020
Observations of diffuse radio emission in the Abell 773 galaxy cluster
- Authors: Sichone, Gift L
- Date: 2020
- Subjects: Galaxies -- Clusters -- Observations , Radio astronomy -- Observations , Astrophysics -- South Africa , Westerbork Radio Telescope , A773 galaxy cluster , Astronomy -- Observations , Radio sources (Astronomy
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/144945 , vital:38394
- Description: In this thesis, we present 18 and 21 cm observations of the A773 galaxy cluster observed with the Westerbork radio telescope. The final 18 and 21 cm images achieve a noise level of 0.018 mJy beam‾ 1 and 0.025 mJy beam-1 respectively. After subtracting the compact sources, the low resolution images show evidence of a radio halo at 18 cm, whereas its presence is more uncertain in the low resolution 21 cm images due the presence of residual sidelobes from bright sources. In the joint analysis of both frequencies, the radio halo has a 5.37 arcmin2 area with a 6.76 mJy flux density. Further observations and analysis are, however, required to fully characterize its properties.
- Full Text:
- Date Issued: 2020
- Authors: Sichone, Gift L
- Date: 2020
- Subjects: Galaxies -- Clusters -- Observations , Radio astronomy -- Observations , Astrophysics -- South Africa , Westerbork Radio Telescope , A773 galaxy cluster , Astronomy -- Observations , Radio sources (Astronomy
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/144945 , vital:38394
- Description: In this thesis, we present 18 and 21 cm observations of the A773 galaxy cluster observed with the Westerbork radio telescope. The final 18 and 21 cm images achieve a noise level of 0.018 mJy beam‾ 1 and 0.025 mJy beam-1 respectively. After subtracting the compact sources, the low resolution images show evidence of a radio halo at 18 cm, whereas its presence is more uncertain in the low resolution 21 cm images due the presence of residual sidelobes from bright sources. In the joint analysis of both frequencies, the radio halo has a 5.37 arcmin2 area with a 6.76 mJy flux density. Further observations and analysis are, however, required to fully characterize its properties.
- Full Text:
- Date Issued: 2020
Observations of diffuse radio emission in the Perseus Galaxy Cluster
- Authors: Mungwariri, Clemence
- Date: 2020
- Subjects: Galaxies -- Clusters , Radio sources (Astronomy) , Radio interferometers , Perseus Galaxy Cluster , Diffuse radio emission
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/143325 , vital:38233
- Description: In this thesis we analysed Westerbork observations of the Perseus Galaxy Cluster at 1380 MHz. Observations consist of two different pointings, covering a total of ∼ 0.5 square degrees, one including the known mini halo and the source 3C 84, the other centred on the source 3C 83.1 B. We obtained images with 83 μJy beam⁻¹ and 240 μJy beam⁻¹ noise rms for the two pointings respectively. We achieved a 60000 : 1 dynamic range in the image containing the bright 3C 84 source. We imaged the mini halo surrounding 3C 84 at high sensitivity, measuring its diameter to be ∼140 kpc and its power 4 x 10²⁴ W Hz⁻¹. Its morphology agrees quite well with that observed at 240 MHz (e.g. Gendron-Marsolais et al., 2017). We measured the flux density of 3C 84 to be 20.5 ± 0.4 Jy at the 2007 epoch, consistent with a factor of ∼2 increase since the 1960s.
- Full Text:
- Date Issued: 2020
- Authors: Mungwariri, Clemence
- Date: 2020
- Subjects: Galaxies -- Clusters , Radio sources (Astronomy) , Radio interferometers , Perseus Galaxy Cluster , Diffuse radio emission
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/143325 , vital:38233
- Description: In this thesis we analysed Westerbork observations of the Perseus Galaxy Cluster at 1380 MHz. Observations consist of two different pointings, covering a total of ∼ 0.5 square degrees, one including the known mini halo and the source 3C 84, the other centred on the source 3C 83.1 B. We obtained images with 83 μJy beam⁻¹ and 240 μJy beam⁻¹ noise rms for the two pointings respectively. We achieved a 60000 : 1 dynamic range in the image containing the bright 3C 84 source. We imaged the mini halo surrounding 3C 84 at high sensitivity, measuring its diameter to be ∼140 kpc and its power 4 x 10²⁴ W Hz⁻¹. Its morphology agrees quite well with that observed at 240 MHz (e.g. Gendron-Marsolais et al., 2017). We measured the flux density of 3C 84 to be 20.5 ± 0.4 Jy at the 2007 epoch, consistent with a factor of ∼2 increase since the 1960s.
- Full Text:
- Date Issued: 2020
Occurrence of early stage fishes associated with Anaulus australis in a temperate South African surf zone, with notes on feeding ecology and incidental microplastic consumption in a dominant species
- Authors: McGregor, Steven
- Date: 2020
- Subjects: Estuarine fishes -- Ecology
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10948/48489 , vital:40881
- Description: Surf zones are important fish nursery areas, however, microhabitats and threats to fishes within them remain understudied. Diatom accumulations in surf zones are a worldwide phenomenon on certain beach types and discolour the water, offering refuge from visual predators and feeding opportunities for fishes, thus providing a microhabitat for early stage fishes. Surf diatom accumulations require long lasting rip current-entrained gyres to occur, which also entrap buoyant microplastics. These microplastics may then be consumed by filter feeding fishes such as the Southern mullet Chelon richardsonii. This work aimed to assess the extent of association of early stage fishes with diatom Anaulus australis accumulations and the feeding ecology and incidence of microplastic ingestion in the commercially important and dominant surf zone mugilid C. richardsonii. Early stage fishes were sampled within and outside of A. australis accumulations in the Sundays Beach surf zone on the southeast coast of South Africa, using a 4.5 x 1.5 m modified larval seine net with 500 µm mesh. Later developmental stage C. richardsonii were captured using a cast net. A total of 338 replicate larval fish seine hauls were done, capturing 1074 fishes including 33 taxa from 19 families. To assess ontogenetic shifts in diet of the dominant species C. richardsonii, stomach contents of 150 fish were categorised and assessed by prey abundance, frequency of occurrence, volume, index of relative importance and dietary niche breadth and compared across all developmental stages, excluding flexion and preflexion. Dominant families of early stage fishes were Sparidae, Soleidae, Mugilidae and Clupeidae that comprised 93 % of the catch, with dominant species including Heteromycteris capensis, Rhabdosargus holubi, Solea turbynei, Diplodus capensis and Chelon richardsonii. Species diversity and catch per unit effort (CPUE) were significantly higher within accumulations compared to outside, as was the CPUE of postflexion larvae and early juveniles. Generalized Linear Models showed that temperature, dissolved oxygen (mg l-1 ), turbidity and A. australis biomass (µg Chl a l -1 ) were the most significant factors affecting the overall CPUE and that of dominant species. It was suggested that after reaching the postflexion stage of development, fishes utilise diatom accumulations opportunistically when and where they are present. A diet study of the dominant species showed an ontogenetic dietary shift in C. richardsonii using A. australis accumulations as a feeding area, with postflexion larvae feeding mostly on copepods and microplastic fibres, while later developmental stages consumed predominantly A. australis cells and sand. Microplastic fibres were present in 40 % of fish sampled and microplastic fragments in 5 %, with both types found in all developmental stages assessed. It was suggested that C. richardsonii were unable to distinguish microplastics from their natural prey and incidentally ingested them. This presents a conservation concern, because chemicals associated with microplastics could bioaccumulate and biomagnify up the food chain if key baitfish species such as C. richardsonii are ingesting plastic. This study was the first to assess the association of early stage fishes with surf diatom accumulations, and the first to record microplastic ingestion in C. richardsonii. Understanding the function of microhabitats for early stage fishes and threats within them is needed to understand the life history strategies and survival of fishes in key coastal nursery and feeding areas.
- Full Text:
- Date Issued: 2020
- Authors: McGregor, Steven
- Date: 2020
- Subjects: Estuarine fishes -- Ecology
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10948/48489 , vital:40881
- Description: Surf zones are important fish nursery areas, however, microhabitats and threats to fishes within them remain understudied. Diatom accumulations in surf zones are a worldwide phenomenon on certain beach types and discolour the water, offering refuge from visual predators and feeding opportunities for fishes, thus providing a microhabitat for early stage fishes. Surf diatom accumulations require long lasting rip current-entrained gyres to occur, which also entrap buoyant microplastics. These microplastics may then be consumed by filter feeding fishes such as the Southern mullet Chelon richardsonii. This work aimed to assess the extent of association of early stage fishes with diatom Anaulus australis accumulations and the feeding ecology and incidence of microplastic ingestion in the commercially important and dominant surf zone mugilid C. richardsonii. Early stage fishes were sampled within and outside of A. australis accumulations in the Sundays Beach surf zone on the southeast coast of South Africa, using a 4.5 x 1.5 m modified larval seine net with 500 µm mesh. Later developmental stage C. richardsonii were captured using a cast net. A total of 338 replicate larval fish seine hauls were done, capturing 1074 fishes including 33 taxa from 19 families. To assess ontogenetic shifts in diet of the dominant species C. richardsonii, stomach contents of 150 fish were categorised and assessed by prey abundance, frequency of occurrence, volume, index of relative importance and dietary niche breadth and compared across all developmental stages, excluding flexion and preflexion. Dominant families of early stage fishes were Sparidae, Soleidae, Mugilidae and Clupeidae that comprised 93 % of the catch, with dominant species including Heteromycteris capensis, Rhabdosargus holubi, Solea turbynei, Diplodus capensis and Chelon richardsonii. Species diversity and catch per unit effort (CPUE) were significantly higher within accumulations compared to outside, as was the CPUE of postflexion larvae and early juveniles. Generalized Linear Models showed that temperature, dissolved oxygen (mg l-1 ), turbidity and A. australis biomass (µg Chl a l -1 ) were the most significant factors affecting the overall CPUE and that of dominant species. It was suggested that after reaching the postflexion stage of development, fishes utilise diatom accumulations opportunistically when and where they are present. A diet study of the dominant species showed an ontogenetic dietary shift in C. richardsonii using A. australis accumulations as a feeding area, with postflexion larvae feeding mostly on copepods and microplastic fibres, while later developmental stages consumed predominantly A. australis cells and sand. Microplastic fibres were present in 40 % of fish sampled and microplastic fragments in 5 %, with both types found in all developmental stages assessed. It was suggested that C. richardsonii were unable to distinguish microplastics from their natural prey and incidentally ingested them. This presents a conservation concern, because chemicals associated with microplastics could bioaccumulate and biomagnify up the food chain if key baitfish species such as C. richardsonii are ingesting plastic. This study was the first to assess the association of early stage fishes with surf diatom accumulations, and the first to record microplastic ingestion in C. richardsonii. Understanding the function of microhabitats for early stage fishes and threats within them is needed to understand the life history strategies and survival of fishes in key coastal nursery and feeding areas.
- Full Text:
- Date Issued: 2020
Older people’s perspectives on the effectiveness of eye movement integration (emi) therapy as treatment intervention for their trauma symptoms
- Authors: Visagie, Andrea
- Date: 2020
- Subjects: Post-traumatic stress disorder in old age
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10948/46389 , vital:39601
- Description: Many research studies propose that we have an ageing population with an increased number of people living past the age of 85 years. Ageing is accompanied by a gradual decline in physical, mental and sensory abilities. Older people may have experienced trauma throughout their lives, and very often, their symptoms of trauma are regarded as part of the ageing process rather than actual symptoms of trauma. In addition, older people often do not seek help throughout their lives for various reasons. While there is research available about older people and trauma, little is known about Eye Movement Integration(EMI)therapy as a treatment intervention in treating symptoms of trauma in older persons. The purpose of this research was an explorative and descriptive study of older people’s responses to EMI therapy as a treatment intervention for their symptoms of trauma. More specifically, the study was designed to determine how older people process their symptoms through EMI therapy and whether they view it as valuable. This qualitative study used an exploratory-descriptive research design with a non-probability, purposive sampling method. The EMI therapy sessions were offered to older adults in the Knysna area who presented with symptoms of trauma. From this group, only those who were able and willing to engage in therapeutic interviews formed part of the research. As part of the study, they consented to the use of their inventories from the EMI sessions as a qualitative document analysis and taking part in qualitative interviews to explore their views on the usefulness of EMI therapy to deal with their trauma. The findings emphasise that older people are not familiar with EMI. However, they view their experience of it in a positive light and regard it as a useful treatment intervention for treating their symptoms. Moreover, EMI seems to be a brief and cost-effective trauma intervention with practical benefits for older adults. The results from this study can assist social work professionals, specifically those working with older people, to address and improve the overall health and emotional wellbeing of older people. Data verification methods ensured the validity of this study
- Full Text:
- Date Issued: 2020
- Authors: Visagie, Andrea
- Date: 2020
- Subjects: Post-traumatic stress disorder in old age
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10948/46389 , vital:39601
- Description: Many research studies propose that we have an ageing population with an increased number of people living past the age of 85 years. Ageing is accompanied by a gradual decline in physical, mental and sensory abilities. Older people may have experienced trauma throughout their lives, and very often, their symptoms of trauma are regarded as part of the ageing process rather than actual symptoms of trauma. In addition, older people often do not seek help throughout their lives for various reasons. While there is research available about older people and trauma, little is known about Eye Movement Integration(EMI)therapy as a treatment intervention in treating symptoms of trauma in older persons. The purpose of this research was an explorative and descriptive study of older people’s responses to EMI therapy as a treatment intervention for their symptoms of trauma. More specifically, the study was designed to determine how older people process their symptoms through EMI therapy and whether they view it as valuable. This qualitative study used an exploratory-descriptive research design with a non-probability, purposive sampling method. The EMI therapy sessions were offered to older adults in the Knysna area who presented with symptoms of trauma. From this group, only those who were able and willing to engage in therapeutic interviews formed part of the research. As part of the study, they consented to the use of their inventories from the EMI sessions as a qualitative document analysis and taking part in qualitative interviews to explore their views on the usefulness of EMI therapy to deal with their trauma. The findings emphasise that older people are not familiar with EMI. However, they view their experience of it in a positive light and regard it as a useful treatment intervention for treating their symptoms. Moreover, EMI seems to be a brief and cost-effective trauma intervention with practical benefits for older adults. The results from this study can assist social work professionals, specifically those working with older people, to address and improve the overall health and emotional wellbeing of older people. Data verification methods ensured the validity of this study
- Full Text:
- Date Issued: 2020
On the association of graphs to rings
- Authors: Mzulwini, Sboniso
- Date: 2020
- Subjects: Categories (Mathematics)
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10948/47060 , vital:39779
- Description: Let R be a commutative ring with nonzero identity, and let Z (R) be the set of its zerodivisors. There exists an association between a simple graph (R) and the set Z(R) of nonzero zero-divisors of R. In this dissertation we investigate how the properties of R a⁄ect the properties of (R) and vice versa. There are other graphs that are associated with R. Some of these are shown to be special cases of the congruence-based zero-divisor graph.
- Full Text:
- Date Issued: 2020
- Authors: Mzulwini, Sboniso
- Date: 2020
- Subjects: Categories (Mathematics)
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10948/47060 , vital:39779
- Description: Let R be a commutative ring with nonzero identity, and let Z (R) be the set of its zerodivisors. There exists an association between a simple graph (R) and the set Z(R) of nonzero zero-divisors of R. In this dissertation we investigate how the properties of R a⁄ect the properties of (R) and vice versa. There are other graphs that are associated with R. Some of these are shown to be special cases of the congruence-based zero-divisor graph.
- Full Text:
- Date Issued: 2020
Parents’ perceptions of the content of pre-school lunch boxes following a nutritional programme in Nelson Mandela Bay
- Authors: Midigo, Odwour Erich
- Date: 2020
- Subjects: Children -- Nutrition
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10948/46429 , vital:39587
- Description: Rationale: Lunchboxes that parents prepare for preschool children have been noted to fall short of the recommended paediatrics dietary standards. No research has been done in Nelson Mandela Bay (NMB) to describe the perceptions of parents preparing the lunch boxes, particularly in underprivileged communities, and if nutrition education strategies can improve these practices. This study answered the following research question: How can nutrition education programmes play a role in parents’ perceptions about the content of the lunchboxes of children attending early childhood development centres (ECD) in underprivileged communities of NMB metropole? Aim: The research aimed at describing and exploring parents’ perceptions of the content of pre-school children’s lunch boxes following a nutrition programme.Methods: This descriptive, explorative study adopted a qualitative approach. Twenty-five participants were selected conveniently while five pre-schools were purposively sampled. Following the nutrition programme, data was collected through five Focus Group (FG) discussions and five interviews and was thematically analysed. The ethical principles that guided the study included justice, beneficence and autonomy. Results and Discussion: Five major themes and seventeen sub-themes emerged (1) Participants described the typical foodstuff in children’s lunch boxes which included both high quality and lower-quality foods and fluids; (2) Participants provided views (such as food preferences) on lunch box choices; (3) Principals appraised lunch box rules and the significance of revised rules to improve the lunch boxes;(4) Challenges such as poverty limited healthy food choices; (5) Participants commented on initiatives noted following the nutrition training; for instance, some schools commenced the cultivation of vegetable gardens. Conclusion and Recommendations: The study highlights that specific parent programmes helped to improve healthy lunch box choices in the study population. There is a need for parent programmes tailored to fathers. Dieticians and nutritionists in NMB can train practitioners as change agents in their respective schools.
- Full Text:
- Date Issued: 2020
- Authors: Midigo, Odwour Erich
- Date: 2020
- Subjects: Children -- Nutrition
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10948/46429 , vital:39587
- Description: Rationale: Lunchboxes that parents prepare for preschool children have been noted to fall short of the recommended paediatrics dietary standards. No research has been done in Nelson Mandela Bay (NMB) to describe the perceptions of parents preparing the lunch boxes, particularly in underprivileged communities, and if nutrition education strategies can improve these practices. This study answered the following research question: How can nutrition education programmes play a role in parents’ perceptions about the content of the lunchboxes of children attending early childhood development centres (ECD) in underprivileged communities of NMB metropole? Aim: The research aimed at describing and exploring parents’ perceptions of the content of pre-school children’s lunch boxes following a nutrition programme.Methods: This descriptive, explorative study adopted a qualitative approach. Twenty-five participants were selected conveniently while five pre-schools were purposively sampled. Following the nutrition programme, data was collected through five Focus Group (FG) discussions and five interviews and was thematically analysed. The ethical principles that guided the study included justice, beneficence and autonomy. Results and Discussion: Five major themes and seventeen sub-themes emerged (1) Participants described the typical foodstuff in children’s lunch boxes which included both high quality and lower-quality foods and fluids; (2) Participants provided views (such as food preferences) on lunch box choices; (3) Principals appraised lunch box rules and the significance of revised rules to improve the lunch boxes;(4) Challenges such as poverty limited healthy food choices; (5) Participants commented on initiatives noted following the nutrition training; for instance, some schools commenced the cultivation of vegetable gardens. Conclusion and Recommendations: The study highlights that specific parent programmes helped to improve healthy lunch box choices in the study population. There is a need for parent programmes tailored to fathers. Dieticians and nutritionists in NMB can train practitioners as change agents in their respective schools.
- Full Text:
- Date Issued: 2020
Performance of an integrated algal pond for treatment of domestic sewage: a process audit
- Authors: Dube, Anele
- Date: 2020
- Subjects: Water -- Purification , Sewage -- Purification -- Anaerobic treatment , Algae -- Biotechnology , Waste disposal -- South Africa , Integrated algae pond systems (IAPS)
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/167043 , vital:41432
- Description: Integrated algae pond systems (IAPS) are energy efficient, robust, passive systems that use the principles of fermentation, photosynthesis and microbial metabolism to remediate wastewater, producing a good quality effluent with reuse potential. In addition to the treatment of wastewater, IAPS have the ability to generate two additional product streams viz. biogas and biomass. The latter adds to the attractiveness of the system. However, the implementation of this technology, like many passive systems, has remained limited at a commercial scale, and the inclination is still towards grey technologies. The aim of this research was to investigate the capabilities and potential of a demonstration-scale IAPS and use results obtained to establish a process audit framework. The aspects considered for the audit included performance efficiency, effluent water quality, biomass composition, quantity and productivity within the ponds, and cost analysis of operation and maintenance over a 9-year period. Plant performance was closely monitored during the course of the study and this led to a review of previously adopted plant management strategies. Troubleshooting exercises were also carried out when plant performance declined. Results showed that IAPS efficiently reduced standard water parameters with the exception of pH, dissolved oxygen, and nitrate whose values increased from raw influent to final effluent. The following water quality parameters were established for the final effluent: total suspended solids 55 ± 7.1 mg. L-1 (n = 28); chemical oxygen demand 94.1 ± 10.6 mg. L-1 (n = 28) (after removal of algae); pH 9.9 ± 0.01 (n = 26); ammonium nitrogen 1.7 ± 0.3 mg. L-1 (n = 25); nitrate 3.3 ± 0.6 mg. L-1 (n = 25); ortho-phosphate 1.6 ± 0.2 mg. L-1 (n = 25); electrical conductivity 98.7 ± 2.0 mS m-1 (n = 26) and faecal coliforms (per 100 mL) 1482.6 ± 636.0 (n = 24). The final effluent measured consistently high chemical oxygen demand and total suspended solids, however close analysis showed that total suspended solids could be controlled by increasing the frequency of removal of settled biomass within the settling ponds. Biomass produced contained microalgae, bacteria, metazoa, and protozoa. The biomass productivity achieved was as high as 130.6 kg ha-1 d-1; however, about 33% was lost to the final effluent due to inadequate settling. Results obtained during the course of this study and outcomes of earlier work on IAPS are taken as the baseline to determine parameters needed for the development of the process audit framework. Techniques utilised to derive the blue print process audit protocol for IAPS included a turtle diagram, a flow diagram and a checklist. Attention to plant management proved vital in determining overall performance. Cost, including operating and maintenance, of treating water using the demonstration scale system on a per person equivalent per year basis was determined as ZAR 123.87 (where, ZAR to USD = 0.07).
- Full Text:
- Date Issued: 2020
- Authors: Dube, Anele
- Date: 2020
- Subjects: Water -- Purification , Sewage -- Purification -- Anaerobic treatment , Algae -- Biotechnology , Waste disposal -- South Africa , Integrated algae pond systems (IAPS)
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/167043 , vital:41432
- Description: Integrated algae pond systems (IAPS) are energy efficient, robust, passive systems that use the principles of fermentation, photosynthesis and microbial metabolism to remediate wastewater, producing a good quality effluent with reuse potential. In addition to the treatment of wastewater, IAPS have the ability to generate two additional product streams viz. biogas and biomass. The latter adds to the attractiveness of the system. However, the implementation of this technology, like many passive systems, has remained limited at a commercial scale, and the inclination is still towards grey technologies. The aim of this research was to investigate the capabilities and potential of a demonstration-scale IAPS and use results obtained to establish a process audit framework. The aspects considered for the audit included performance efficiency, effluent water quality, biomass composition, quantity and productivity within the ponds, and cost analysis of operation and maintenance over a 9-year period. Plant performance was closely monitored during the course of the study and this led to a review of previously adopted plant management strategies. Troubleshooting exercises were also carried out when plant performance declined. Results showed that IAPS efficiently reduced standard water parameters with the exception of pH, dissolved oxygen, and nitrate whose values increased from raw influent to final effluent. The following water quality parameters were established for the final effluent: total suspended solids 55 ± 7.1 mg. L-1 (n = 28); chemical oxygen demand 94.1 ± 10.6 mg. L-1 (n = 28) (after removal of algae); pH 9.9 ± 0.01 (n = 26); ammonium nitrogen 1.7 ± 0.3 mg. L-1 (n = 25); nitrate 3.3 ± 0.6 mg. L-1 (n = 25); ortho-phosphate 1.6 ± 0.2 mg. L-1 (n = 25); electrical conductivity 98.7 ± 2.0 mS m-1 (n = 26) and faecal coliforms (per 100 mL) 1482.6 ± 636.0 (n = 24). The final effluent measured consistently high chemical oxygen demand and total suspended solids, however close analysis showed that total suspended solids could be controlled by increasing the frequency of removal of settled biomass within the settling ponds. Biomass produced contained microalgae, bacteria, metazoa, and protozoa. The biomass productivity achieved was as high as 130.6 kg ha-1 d-1; however, about 33% was lost to the final effluent due to inadequate settling. Results obtained during the course of this study and outcomes of earlier work on IAPS are taken as the baseline to determine parameters needed for the development of the process audit framework. Techniques utilised to derive the blue print process audit protocol for IAPS included a turtle diagram, a flow diagram and a checklist. Attention to plant management proved vital in determining overall performance. Cost, including operating and maintenance, of treating water using the demonstration scale system on a per person equivalent per year basis was determined as ZAR 123.87 (where, ZAR to USD = 0.07).
- Full Text:
- Date Issued: 2020
Petrographic and geochemical characterisation of the hangingwall and the footwall rocks (the Dipeta and R.A.T. stratigraphic units) to the Kinsevere and Nambulwa copper ore deposits of the Lufilian Arc, southern Democratic Republic of Congo
- Authors: Nkulu, Robert Kankomba
- Date: 2020
- Subjects: Petrogenesis -- Congo (Democratic Republic) , Analytical geochemistry -- Congo (Democratic Republic) , Copper ores -- Congo (Democratic Republic) , Ore deposits -- Congo (Democratic Republic) , Katangan Sequence , Geological mapping -- Congo (Democratic Republic) , Central African Copperbelt (Congo and Zambia) , Lufilian Arc , Neoproterozoic Katangan R.A.T. (Roches Argilo Talqueuse) Subgroup , Dipeta Subgroup
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/142772 , vital:38115
- Description: The Kinsevere and Nambulwa copper deposits in the Democratic Republic of Congo (D.R.C.) are set in the eastern side of the Neoproterozoic Katanga Supergroup, forming the Lufilian Arc, resulting from a cratonic collision between the Congo and the Kalahari Cratons (ca.620-570_Ma). The Katanga Supergroup was deposited in an extensional rift setting with a sedimentary thickness succession ranging between 7 to 10 km, sub-divided into: − the Roan, the Nguba and the Kundelungu Groups. The stratigraphic column of the Roan Group consists of the R.A.T. (Roche Argilo Talqueuse), the Mines, the Dipeta and the Mwashya Subgroups. Three major deformation phases have been described characterised by complex multiphase tectonics related to a curved superposition of folded, thrust and sheared blocks. The rocks of the R.A.T., Mines and Dipeta Subgroups are recognised as blocks that occur within a stratiform to discordant and diapiritic megabreccia. The blocks were rafted upward with salt tectonics, resulting in the juxtaposition with the hangingwall and the footwall terranes. Therefore, in that context it has been found that the Dipeta may appear overlying the R.A.T. Subgroup through the unconformity decollement surface of heterogeneous breccia. The petrographic observations made of the R.A.T. and Dipeta samples indicates in both units the presence of detrital quartz and feldspar that have been altered and replaced by sericite and muscovite minerals. Gypsum is intimately associated with magnesite, showing an evaporitic environment domain, while magnesite is common as alteration phase both in the R.A.T. and Dipeta Subgroups. Pyrophyllite has been observed in the Dipeta, resulting from reaction of silica with the Kaolinite at low temperature. Accessory detrital minerals include zircon, as well as xenotime intergrown with altered Fe-Ti-oxide hematite, forming complex textures with disseminated Ti-oxides both in R.A.T. and Dipeta units. Major and trace element geochemistry indicates that the Dipeta is more dolomitic and magnesite while the R.A.T. is clay-rich. The Ti2O value of Dipeta and R.A.T samples is relatively low, ranging between 0.36 and 0.69 wt.% respectively, which suggest highly evolved felsic material in the protolith. This is consistent with interpretation based on the Al2O3/TiO2 ratio, which ranges between 18 and 23 for the R.A.T. and Dipeta respectively, indicating an intermediate to felsic granitoids as the protolith of R.A.T. and Dipeta siltstones. The Ti/Zr ratio of R.A.T. and Dipeta samples of less than 10, while, the higher La/Sc ratio of between 2.6 and 5.5 (for the R.A.T. and Dipeta respectively) indicate that both the R.A.T. and Dipeta are active continental and passive margin tectonic setting. Based on the geochemical variation with depth across the R.A.T. and Dipeta and their contact zone, a geochemical fingerprinting suggests that the ratio TiO2/Al2O3 appears to be useful and could be considered as a stratigraphic geochemical maker able to discriminate the R.A.T. and the Dipeta Subgroups during the geological mapping.
- Full Text:
- Date Issued: 2020
- Authors: Nkulu, Robert Kankomba
- Date: 2020
- Subjects: Petrogenesis -- Congo (Democratic Republic) , Analytical geochemistry -- Congo (Democratic Republic) , Copper ores -- Congo (Democratic Republic) , Ore deposits -- Congo (Democratic Republic) , Katangan Sequence , Geological mapping -- Congo (Democratic Republic) , Central African Copperbelt (Congo and Zambia) , Lufilian Arc , Neoproterozoic Katangan R.A.T. (Roches Argilo Talqueuse) Subgroup , Dipeta Subgroup
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/142772 , vital:38115
- Description: The Kinsevere and Nambulwa copper deposits in the Democratic Republic of Congo (D.R.C.) are set in the eastern side of the Neoproterozoic Katanga Supergroup, forming the Lufilian Arc, resulting from a cratonic collision between the Congo and the Kalahari Cratons (ca.620-570_Ma). The Katanga Supergroup was deposited in an extensional rift setting with a sedimentary thickness succession ranging between 7 to 10 km, sub-divided into: − the Roan, the Nguba and the Kundelungu Groups. The stratigraphic column of the Roan Group consists of the R.A.T. (Roche Argilo Talqueuse), the Mines, the Dipeta and the Mwashya Subgroups. Three major deformation phases have been described characterised by complex multiphase tectonics related to a curved superposition of folded, thrust and sheared blocks. The rocks of the R.A.T., Mines and Dipeta Subgroups are recognised as blocks that occur within a stratiform to discordant and diapiritic megabreccia. The blocks were rafted upward with salt tectonics, resulting in the juxtaposition with the hangingwall and the footwall terranes. Therefore, in that context it has been found that the Dipeta may appear overlying the R.A.T. Subgroup through the unconformity decollement surface of heterogeneous breccia. The petrographic observations made of the R.A.T. and Dipeta samples indicates in both units the presence of detrital quartz and feldspar that have been altered and replaced by sericite and muscovite minerals. Gypsum is intimately associated with magnesite, showing an evaporitic environment domain, while magnesite is common as alteration phase both in the R.A.T. and Dipeta Subgroups. Pyrophyllite has been observed in the Dipeta, resulting from reaction of silica with the Kaolinite at low temperature. Accessory detrital minerals include zircon, as well as xenotime intergrown with altered Fe-Ti-oxide hematite, forming complex textures with disseminated Ti-oxides both in R.A.T. and Dipeta units. Major and trace element geochemistry indicates that the Dipeta is more dolomitic and magnesite while the R.A.T. is clay-rich. The Ti2O value of Dipeta and R.A.T samples is relatively low, ranging between 0.36 and 0.69 wt.% respectively, which suggest highly evolved felsic material in the protolith. This is consistent with interpretation based on the Al2O3/TiO2 ratio, which ranges between 18 and 23 for the R.A.T. and Dipeta respectively, indicating an intermediate to felsic granitoids as the protolith of R.A.T. and Dipeta siltstones. The Ti/Zr ratio of R.A.T. and Dipeta samples of less than 10, while, the higher La/Sc ratio of between 2.6 and 5.5 (for the R.A.T. and Dipeta respectively) indicate that both the R.A.T. and Dipeta are active continental and passive margin tectonic setting. Based on the geochemical variation with depth across the R.A.T. and Dipeta and their contact zone, a geochemical fingerprinting suggests that the ratio TiO2/Al2O3 appears to be useful and could be considered as a stratigraphic geochemical maker able to discriminate the R.A.T. and the Dipeta Subgroups during the geological mapping.
- Full Text:
- Date Issued: 2020
Petrography, metamorphism, deformation and P-T conditions in the western arm of the Lufilian Arc - Zambezi, north-western Zambia
- Authors: Chilekwa, Mwango
- Date: 2020
- Subjects: Petrogenesis -- Zambia -- Zambezi District , Metamorphism (Geology) -- Zambia -- Zambezi District , Petrology -- Zambia -- Zambezi District , Formations (Geology) -- Zambia -- Zambezi District , Rock deformation -- Zambia -- Zambezi District , Lufilian Arc , Neoproterozoic Katangan R.A.T. (Roches Argilo Talqueuse) Subgroup
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/161971 , vital:40699
- Description: The Zambezi area in north-western Zambia is underlain by Neoproterozoic Katanga Supergroup and older, Archean to Mesoproterozoic Basement Supergroup rocks. The area lies within the Domes Region, which is a structural domain of the Lufilian Arc. The stratigraphic succession within Zambezi area is dominated by the Grand Conglomerate Formation (GC) and Mwashia Group which are the most extensive units, and the less abundant Lower and Upper Roan Groups of the Katanga Supergroup. They wrap around the domal Basement Supergroup units. The mineral assemblage of the Mwashia and the GC schists commonly contains garnet, anthophyllite and biotite. GC rocks show remnants of primary structures such as clasts and sedimentary features. Anthophyllite, garnet and biotite are the dominant Mg-Fe rich metamorphic minerals. However, these are iron rich for each mineral phase and has been attributed to iron rich protoliths. The earliest recognised deformation episode (D1) formed NE-SW S1 foliations within GC which is consistent with the regional structural trend in the western Lufilian Arc. S1 was later affected by D2 that generated downward facing F2 folds and S2 foliations. The other associated feature to D2 is garnet that grew as the result of pro-grade metamorphism. The D3 deformation fabric is not developed and did not affect much of the structural geometry of the Zambezi area. The peak assemblages of the Basement Supergroup and the Katanga Supergroup formed at mid-amphibolite facies conditions of 590 °C and 630 °C at an average pressure of 4.0 kbar. The Basement Supergroup has undergone retrograde metamorphism to greenschist facies condition indicated by presence of chlorite and also determined by biotite-anorthite isopleth in THERIAK DOMINO. At the eastern part of Zambezi area, the Katanga Supergroup rocks were retrogressed in the upper greenschist facies at about ~470°C and ~4.0 kbar due to isobaric cooling.
- Full Text:
- Date Issued: 2020
- Authors: Chilekwa, Mwango
- Date: 2020
- Subjects: Petrogenesis -- Zambia -- Zambezi District , Metamorphism (Geology) -- Zambia -- Zambezi District , Petrology -- Zambia -- Zambezi District , Formations (Geology) -- Zambia -- Zambezi District , Rock deformation -- Zambia -- Zambezi District , Lufilian Arc , Neoproterozoic Katangan R.A.T. (Roches Argilo Talqueuse) Subgroup
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/161971 , vital:40699
- Description: The Zambezi area in north-western Zambia is underlain by Neoproterozoic Katanga Supergroup and older, Archean to Mesoproterozoic Basement Supergroup rocks. The area lies within the Domes Region, which is a structural domain of the Lufilian Arc. The stratigraphic succession within Zambezi area is dominated by the Grand Conglomerate Formation (GC) and Mwashia Group which are the most extensive units, and the less abundant Lower and Upper Roan Groups of the Katanga Supergroup. They wrap around the domal Basement Supergroup units. The mineral assemblage of the Mwashia and the GC schists commonly contains garnet, anthophyllite and biotite. GC rocks show remnants of primary structures such as clasts and sedimentary features. Anthophyllite, garnet and biotite are the dominant Mg-Fe rich metamorphic minerals. However, these are iron rich for each mineral phase and has been attributed to iron rich protoliths. The earliest recognised deformation episode (D1) formed NE-SW S1 foliations within GC which is consistent with the regional structural trend in the western Lufilian Arc. S1 was later affected by D2 that generated downward facing F2 folds and S2 foliations. The other associated feature to D2 is garnet that grew as the result of pro-grade metamorphism. The D3 deformation fabric is not developed and did not affect much of the structural geometry of the Zambezi area. The peak assemblages of the Basement Supergroup and the Katanga Supergroup formed at mid-amphibolite facies conditions of 590 °C and 630 °C at an average pressure of 4.0 kbar. The Basement Supergroup has undergone retrograde metamorphism to greenschist facies condition indicated by presence of chlorite and also determined by biotite-anorthite isopleth in THERIAK DOMINO. At the eastern part of Zambezi area, the Katanga Supergroup rocks were retrogressed in the upper greenschist facies at about ~470°C and ~4.0 kbar due to isobaric cooling.
- Full Text:
- Date Issued: 2020
Photo-physicochemical characterization and in vitro Photodynamic Therapy Activity of Phthalocyanine-Graphene Quantum Dots Conjugates
- Authors: Nene, Lindokuhle Cindy
- Date: 2020
- Subjects: Photochemotherapy , Cancer -- Chemotherapy , Quantum dots , Graphene , Nanomedicine
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/140463 , vital:37891
- Description: This thesis reports on the preparation of several differently substituted Zn(II) phthalocyanine (Pc) complexes and their respective graphene quantum dots (GQDs) conjugates. In addition, Pc complexes substituted with biologically active molecules used in cancer therapeutics, namely: benzothiazole and morpholine, were also prepared and conjugated to GQDs. The photo-physicochemical properties were determined for both the complexes and their respective conjugates including the fluorescence/ triplet quantum yields and lifetimes as well as the singlet oxygen generating abilities. Upon conjugation to GQDs, the fluorescence of the Pc complexes decreased (insignificant decrease in some cases), with an increase in the triplet quantum yields. However, the singlet quantum yields of the Pcs in the conjugates did not show an increase with the increase in the triplet quantum yields. This is suspected to be due to the screening effect. The cytotoxicity of the complexes in vitro decreased upon conjugation, as a result of reduced actual number of Pc units provided in the conjugate for therapy. An increase in the efficacy upon quaternization was observed, and a relatively better performance was also observed for the cationic complex in combination with the biotin- functionalized GQDs, 7-GQDs-Biotin. Moreover, the cellular uptake of 7-GQDs-Biotin over 24 h was relatively high compared to complexes alone and other Pcs-GQDs conjugates.
- Full Text:
- Date Issued: 2020
- Authors: Nene, Lindokuhle Cindy
- Date: 2020
- Subjects: Photochemotherapy , Cancer -- Chemotherapy , Quantum dots , Graphene , Nanomedicine
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/140463 , vital:37891
- Description: This thesis reports on the preparation of several differently substituted Zn(II) phthalocyanine (Pc) complexes and their respective graphene quantum dots (GQDs) conjugates. In addition, Pc complexes substituted with biologically active molecules used in cancer therapeutics, namely: benzothiazole and morpholine, were also prepared and conjugated to GQDs. The photo-physicochemical properties were determined for both the complexes and their respective conjugates including the fluorescence/ triplet quantum yields and lifetimes as well as the singlet oxygen generating abilities. Upon conjugation to GQDs, the fluorescence of the Pc complexes decreased (insignificant decrease in some cases), with an increase in the triplet quantum yields. However, the singlet quantum yields of the Pcs in the conjugates did not show an increase with the increase in the triplet quantum yields. This is suspected to be due to the screening effect. The cytotoxicity of the complexes in vitro decreased upon conjugation, as a result of reduced actual number of Pc units provided in the conjugate for therapy. An increase in the efficacy upon quaternization was observed, and a relatively better performance was also observed for the cationic complex in combination with the biotin- functionalized GQDs, 7-GQDs-Biotin. Moreover, the cellular uptake of 7-GQDs-Biotin over 24 h was relatively high compared to complexes alone and other Pcs-GQDs conjugates.
- Full Text:
- Date Issued: 2020
Photocatalysis of 4-chloro and 4-nonylphenols using novel symmetric phthalocyanines and asymmetric porphyrin supported on polyacrylonitrite nanofibres
- Authors: Jones, Benjamin Martin
- Date: 2020
- Subjects: Nanoparticles , Phthalocyanines , Electrospinning , Porphyrins , Nanofibers , Photocatalysis , Photocatalysis -- Environmental aspects
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/164770 , vital:41163
- Description: This work explores the synthesis and characterisation of novel symmetrical phthalocyanines and novel asymmetric porphyrins that have been embedded or linked respectively,and electrospun into fibres for application in the photocatalysis of environmental pollutants. The phthalocyanines contain pyrrole moieties without hetero atom linkers to maintain a rigid structure. The porphyrin contains a carboxy moiety utilized to construct an amide bond between the complex and the polymer prior to the spinning process. The new compounds were characterized by elemental analyses, proton nuclear magnetic resonance (HNMR)Fourier-transform infrared spectroscopy (FTIR), MALDI-TOF and UV-vis spectroscopy. The general trends of fluorescence, triplet and singlet oxygen quantum yields are described as well as their appropriate lifetimes. The photocatalytic activity of phthalocyanine embedded fibres were compared against those that had been dyed. Unfortunately, during the degradation process, the dyed fibres leeched compound and the studies could not be continued. It was seen that the porphyrin fibres linked to the polymer showed the most efficient photocatalytic activity against 4-cholorphenol and 4-nonylphenol due to irradiation at lower wavelengths consequently having higher frequencies and transferring more energy.
- Full Text:
- Date Issued: 2020
- Authors: Jones, Benjamin Martin
- Date: 2020
- Subjects: Nanoparticles , Phthalocyanines , Electrospinning , Porphyrins , Nanofibers , Photocatalysis , Photocatalysis -- Environmental aspects
- Language: English
- Type: text , Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10962/164770 , vital:41163
- Description: This work explores the synthesis and characterisation of novel symmetrical phthalocyanines and novel asymmetric porphyrins that have been embedded or linked respectively,and electrospun into fibres for application in the photocatalysis of environmental pollutants. The phthalocyanines contain pyrrole moieties without hetero atom linkers to maintain a rigid structure. The porphyrin contains a carboxy moiety utilized to construct an amide bond between the complex and the polymer prior to the spinning process. The new compounds were characterized by elemental analyses, proton nuclear magnetic resonance (HNMR)Fourier-transform infrared spectroscopy (FTIR), MALDI-TOF and UV-vis spectroscopy. The general trends of fluorescence, triplet and singlet oxygen quantum yields are described as well as their appropriate lifetimes. The photocatalytic activity of phthalocyanine embedded fibres were compared against those that had been dyed. Unfortunately, during the degradation process, the dyed fibres leeched compound and the studies could not be continued. It was seen that the porphyrin fibres linked to the polymer showed the most efficient photocatalytic activity against 4-cholorphenol and 4-nonylphenol due to irradiation at lower wavelengths consequently having higher frequencies and transferring more energy.
- Full Text:
- Date Issued: 2020
Photocatalytic reduction of CO2 by cobalt doped TiO2 and ZnO micro/nanostructured materials
- Authors: Mgolombane, Mvano
- Date: 2020
- Subjects: Nanostructures , Catalysis , Nanotechnology , Chemistry
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10948/49171 , vital:41607
- Description: Large emissions of carbon dioxide (CO2) in the atmosphere have caused many harmful effects on humans and the environment. Carbon dioxide is a good source C and is used in a number of applications such as synthesis of fossil fuels. Redox reaction of CO2 and H2O with photocatalysts such as TiO2 and ZnO to produce solar fuels is a promising approach in reducing the environmental impacts of greenhouse gasses. This dissertation describes an in-depth synthesis of four photochemical catalysts and their photocatalytic conversion of CO2 to methanol, thereby addressing the above-mentioned problems by applying synthesised nano-based catalysts. Prior to photocatalytic reduction studies, catalysts such as TiO2, Co-doped TiO2, Co-doped TiO2/rGO, ZnO, Co-doped ZnO and Co-doped ZnO/rGO were synthesized and characterized using various spectroscopic and imaging techniques such as Powder X-Ray Diffraction (PXRD), Scanning Electron Microscopy (SEM), Transmission Electron Micrograph (TEM), X-ray Photoelectron Spectroscopy (XPS), Brunner- Emmet- Teller measurement (BET), Thermogravimetry Analysis (TGA) and UV-Vis Diffuse Reflectance Spectroscopy (UV-Vis-DRS). The conversion yield of CO2 to methanol on TiO2, Co-doped TiO2 and Co-doped TiO2/rGO reached 32.3 μmol/gcat, 730 μmol/gcat and 936 μmol/gcat, respectively, after 7 h of irradiation. Theoretical studies via Density functional theory (DFT) revealed that doping TiO2 with Co ions facilitated the formation of adsorbed carbonate or CO2•- species, as CO2 adsorbs onto Co-doped TiO2 surface with binding energy (BE) of -18.12 KJ/mol. The photocatalytic activities of ZnO-based nanomaterials found that Co-doped ZnO/rGO with high ratio of Co, reduced graphene (rGO) and large surface area (10.62 m2g-1) possessed higher CH3OH (30.1 μmol/g) in comparison with Co-doped ZnO (27.3 μmol/g) and ZnO (7.5 μmol/g). The research will deepen the understanding that TiO2 based photocatalyst show higher activity and the mole ratio (Ti/Zn:Co) influences nanocomposites performance and provide new ideas for designing efficient photocatalysts.
- Full Text:
- Date Issued: 2020
- Authors: Mgolombane, Mvano
- Date: 2020
- Subjects: Nanostructures , Catalysis , Nanotechnology , Chemistry
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10948/49171 , vital:41607
- Description: Large emissions of carbon dioxide (CO2) in the atmosphere have caused many harmful effects on humans and the environment. Carbon dioxide is a good source C and is used in a number of applications such as synthesis of fossil fuels. Redox reaction of CO2 and H2O with photocatalysts such as TiO2 and ZnO to produce solar fuels is a promising approach in reducing the environmental impacts of greenhouse gasses. This dissertation describes an in-depth synthesis of four photochemical catalysts and their photocatalytic conversion of CO2 to methanol, thereby addressing the above-mentioned problems by applying synthesised nano-based catalysts. Prior to photocatalytic reduction studies, catalysts such as TiO2, Co-doped TiO2, Co-doped TiO2/rGO, ZnO, Co-doped ZnO and Co-doped ZnO/rGO were synthesized and characterized using various spectroscopic and imaging techniques such as Powder X-Ray Diffraction (PXRD), Scanning Electron Microscopy (SEM), Transmission Electron Micrograph (TEM), X-ray Photoelectron Spectroscopy (XPS), Brunner- Emmet- Teller measurement (BET), Thermogravimetry Analysis (TGA) and UV-Vis Diffuse Reflectance Spectroscopy (UV-Vis-DRS). The conversion yield of CO2 to methanol on TiO2, Co-doped TiO2 and Co-doped TiO2/rGO reached 32.3 μmol/gcat, 730 μmol/gcat and 936 μmol/gcat, respectively, after 7 h of irradiation. Theoretical studies via Density functional theory (DFT) revealed that doping TiO2 with Co ions facilitated the formation of adsorbed carbonate or CO2•- species, as CO2 adsorbs onto Co-doped TiO2 surface with binding energy (BE) of -18.12 KJ/mol. The photocatalytic activities of ZnO-based nanomaterials found that Co-doped ZnO/rGO with high ratio of Co, reduced graphene (rGO) and large surface area (10.62 m2g-1) possessed higher CH3OH (30.1 μmol/g) in comparison with Co-doped ZnO (27.3 μmol/g) and ZnO (7.5 μmol/g). The research will deepen the understanding that TiO2 based photocatalyst show higher activity and the mole ratio (Ti/Zn:Co) influences nanocomposites performance and provide new ideas for designing efficient photocatalysts.
- Full Text:
- Date Issued: 2020
Physical and thermal properties of binary and ternary blends of polypropylene, crumb rubber and wood flour
- Authors: Mosia, Lefika Ellen
- Date: 2020
- Subjects: Polypropylene , Polymers Materials science
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10948/49193 , vital:41609
- Description: The properties of binary and ternary blends of polypropylene (PP), crumb rubber (CR) and wood flour (WF), with and without ethylene-1-butene as a compatibiliser, were studied. The design of experiment (DoE) was used to determine the proportions of each component for various composites. The components were mixed using the Haake Thermo scientific Polylab QC internal mixer and the crumbs were then moulded into different shapes using the ARBURG 221-55-250 injection moulding machine. The properties of the blends were investigated using a scanning electron microscope (SEM), differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), dynamic mechanic analysis (DMA), tensile tester, water absorption and thickness swelling tests. The morphology of the blends showed the agglomeration of fillers (CR and WF) and more voids on untreated blends but on the treated blends fewer voids as well as improved distribution and dispersion were observed. PP bonded better with WF than with CR. The incorporation of both fillers improved the thermal stability, glass transition temperature, and melt temperature as well as crystallisation temperatures of the blends. Yet these fillers reduced the tensile strength and the yield strength of PP. The addition of WF increased the elongation at break and hardness of the blends but decreased the impact strength of the blends, whereas the addition of CR improved the elongation at break and impact strength of the blends and decreased the hardness of the blends. The blends with more WF absorbed more water and swelled more than the blends containing a high amount of CR. The incorporation of compatibiliser further decreased the tensile strength but improved the thermal stability and elongation at break of the blends. The water absorption and swelling of the blends seemed to decrease with the addition of the compatibiliser whereas the hardness increased. The impact strength of the blends containing more WF, increased after the addition of compatibiliser. The ternary blends showed better results than the binary blends.
- Full Text:
- Date Issued: 2020
- Authors: Mosia, Lefika Ellen
- Date: 2020
- Subjects: Polypropylene , Polymers Materials science
- Language: English
- Type: Thesis , Masters , MSc
- Identifier: http://hdl.handle.net/10948/49193 , vital:41609
- Description: The properties of binary and ternary blends of polypropylene (PP), crumb rubber (CR) and wood flour (WF), with and without ethylene-1-butene as a compatibiliser, were studied. The design of experiment (DoE) was used to determine the proportions of each component for various composites. The components were mixed using the Haake Thermo scientific Polylab QC internal mixer and the crumbs were then moulded into different shapes using the ARBURG 221-55-250 injection moulding machine. The properties of the blends were investigated using a scanning electron microscope (SEM), differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), dynamic mechanic analysis (DMA), tensile tester, water absorption and thickness swelling tests. The morphology of the blends showed the agglomeration of fillers (CR and WF) and more voids on untreated blends but on the treated blends fewer voids as well as improved distribution and dispersion were observed. PP bonded better with WF than with CR. The incorporation of both fillers improved the thermal stability, glass transition temperature, and melt temperature as well as crystallisation temperatures of the blends. Yet these fillers reduced the tensile strength and the yield strength of PP. The addition of WF increased the elongation at break and hardness of the blends but decreased the impact strength of the blends, whereas the addition of CR improved the elongation at break and impact strength of the blends and decreased the hardness of the blends. The blends with more WF absorbed more water and swelled more than the blends containing a high amount of CR. The incorporation of compatibiliser further decreased the tensile strength but improved the thermal stability and elongation at break of the blends. The water absorption and swelling of the blends seemed to decrease with the addition of the compatibiliser whereas the hardness increased. The impact strength of the blends containing more WF, increased after the addition of compatibiliser. The ternary blends showed better results than the binary blends.
- 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