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Synthesis and biological evaluation of anti-HIV-I integrase agents

  • Authors: Jesumoroti, Omobolanle Janet
  • Date: 2017
  • Language: English
  • Type: text , Thesis , Doctoral , PhD
  • Identifier: http://hdl.handle.net/10962/59215 , vital:27479
  • Description: Expected release date-April 2019
  • Full Text:
  • Date Issued: 2017

Synthesis and characterisation of lanthanide complexes with O,O-donor ligands: towards a new generation of hydrophosphonylation catalysts

  • Authors: Mkwakwi, Kwakhanya
  • Date: 2017
  • Subjects: Rare earth metals Catalysts
  • Language: English
  • Type: Thesis , Masters , MTech
  • Identifier: http://hdl.handle.net/10948/11986 , vital:27016
  • Description: This study investigates the coordination behaviour of potentially bi- and tridentate O,O- and O,N,O-donor Schiff base ligands with trivalent lanthanide ions. The reactions of lanthanide nitrates with 2-((E)-(tert-butylimino)methyl)-6-methoxyphenol (HL1) have yielded five complexes that are described by the general formula [Ln(HL1)2(NO3)3] (Ln = Ce, Nd, Gd, Ho and Er) and were characterised using physico-chemical techniques including single-crystal X-ray diffraction spectroscopy. The cerium complex crystallised in a triclinic (P-1) space group, while the rest of the complexes crystallised in the monoclinic (P21/c) space group. All the complexes are ten-coordinate adopting a tetradecahedron geometry with two HL1 molecules coordinated through the phenolic and methoxy oxygen atoms. The coordination sphere is completed by six oxygen atoms from three bidentately coordinated nitrate ligands. Electronic data reveals that only the neodymium, holmium and erbium complexes exhibit weak f-f transitions in the visible region. The redox behaviour of the complexes was also investigated and reported. Five novel complexes were prepared by reacting 2-((E)-(tert-butylimino)methyl)phenol (HL2) with [Ln(NO3)3∙xH2O] (Ln = Gd and Dy ; x = 5 or 6) and [LnCl3∙6H2O] (Ln = Nd, Gd and Dy). The crystal structures of the former two complexes are isostructural and the coordination sphere is composed of three HL2 ligands bonded to the metal centre through the phenolic oxygen atom and three nitrate ions coordinated in a bidentate fashion. Both complexes are nine-coordinate and SHAPE analysis reveals that they adopted a muffin geometry. The average Ln-Onitrate and Ln-Ophenolate bond lengths are 2.5078 and 2.2814 Å, respectively. The complexes derived from the chloride salts exhibited an octahedral geometry with four monodentate ligands [Ln-Ophenolate distances range from 2.224(4) to 2.2797(17) Å] coordinating in the equatorial positions and two chloride ions [average Ln-Cl bond length is 2.6527 Å, and average Cl-Ln-Cl angles is 180o] in axial positions. The ligand coordinated through the phenolic oxygen with the phenolic proton migrating to the imino nitrogen to give a zwitterionic form of the ligand. There are weak C-H∙∙∙Cl interactions present and O-H∙∙∙N hydrogen bonds are also observed in the crystal packing. The synthesis of lanthanide complexes with methoxy-6-((E)-(phenylimino)methyl)phenol (HL3) was carried out in methanol to yield two mononuclear complexes with the formulae [Nd(HL3)2(NO3)3] and [Ho(HL3)(NO3)3(DMF)(H2O)]. Single-crystal crystallographic studies shows that the neodymium complex contains two HL3 ligands coordinated bidentately through its methoxide and phenolic oxygen atoms, with three nitrate ions also bonded to the metal in a bidentate manner. The coordination geometry in the holmium complex is composed of only oxygen atoms from the various ligands. Both complexes are ten-coordinate and exhibit a tetradecahedron geometry.
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  • Date Issued: 2017

Synthesis and characterization of CdSe quantum dots for solar cell application

  • Authors: Makinana, Sinovuyo
  • Date: 2017
  • Subjects: Quantum dots Quantum dots -- Optical properties Renewable energy sources
  • Language: English
  • Type: Thesis , Masters , MSc
  • Identifier: http://hdl.handle.net/10353/5994 , vital:29466
  • Description: This study shows a detailed report on the morphological, structural and optical properties of CdSe QDs synthesised by the hot injection method. Cadmium acetate dihydrate and Se powder were used as cadmium and selenide precursors, respectively. Various QD sizes were achieved by synthesizing in temperature range of 150ºC, 175ºC, 200ºC, 225ºC, 250ºC, 275ºC and 300ºC, respectively. The as synthesized QDs by the hot injection method were cross-examined for their morphological, structural and optical using HRTEM, FTIR, XRD, RS, and UV-Vis spectroscopy techniques respectively. FTIR analysis has revealed vibrations at 738, 738, 738, 738, 735, 735 and 733 cm-1 for the QDs synthesized at various temperatures of 150, 175, 200, 225, 250, 275, and 300℃, respectively. The presence of the above mentioned peaks confirms the presence of Cd-Se bond in our samples. XRD analysis of CdSe QDs revealed diffraction peaks at 2 angles of 16.66 , 25.20 , 34.77 , 40.9 , 45.39 and 49.1 for 150 17.4 , 25.22 , 34.85 , 41.7 , 44.45 and 47.5 for the QDs synthesized at various temperatures of 175 17.07 , 25.19 , 34.85 , 41.34 , 44.41 and 48.86 for 200 ; 16.34 , 25.20 , 34.76 , 40.6 , 44.74 and 49.48 for 225 ; 17.44 , 25.17 , 34.19 , 41.7 , 44.45 , 49.24 for 250 ; 16.70 , 25.16 , 34.85 , 40.32 , 45.1 and 49.1 7 for 275 ;and 17.35 , 25.18 , 35.13 , 41.63 , 45.7 , 49.48 for 300 . These XRD peaks relate to crystal planes of (100), (002), (102), (220), (103) and (112) which belong to hexagonal Wurtzite CdSe crystal structure. Additionally XRD analysis has revealed a general peak shift to higher 2 values was observed for CdSe QDs. HRTEM analysis showed that the synthesised CdSe QDs have a spherical shape and are monodispersed. Moreover, HRTEM analysis has revealed CdSe QDs modal crystallite size of 1.79 nm, 1.81 nm, 2.06 nm, 2.08 nm, 2.11 nm, 3.10 nm and 3.12 nm for the QDs synthesized at various temperatures of 150ºC, 175ºC, 200ºC, 225ºC, 250ºC, 275ºC and 300ºC, respectively. HRTEM results were in mutual agreement with XRD results. Additionally, the SAED images showed intense electron diffraction rings, which confirmed that the as-synthesised CdSe QDs have a Wurtzite crystal structure. RS analysis showed that CdSe QDs have LO and 2LO vibrational modes which are characteristic peaks for CdSe. The presence of these peaks in Raman spectra further supports our previous observation from XRD analysis and HRTEM analysis that the synthesized CdSe QDs have a Wurtzite crystal structure. The effect of synthesis temperature Raman peak shift, FHWH and peak intensity has been cross examined in this work, Moreover, the effect of increasing temperature on the peak shift, FWHM and peak intensity is discussed in detail below. UV-Vis analysis revealed an absorbance of CdSe QDs in higher wavelengths as temperature was increased. Furthermore, the Yu et al 2003 relation was used to calculate QD size and band gap energy of CdSe QDs. The results showed that QD size increases with increasing synthesis temperature, which is in agreement with HRTEM and XRD results.
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  • Date Issued: 2017

Synthesis and characterization of titanium dioxide nanotubes using electrochemical anodization technique for solar cell applications

  • Authors: Lupiwana, Mpheleki
  • Date: 2017
  • Subjects: Titanium dioxide Nanostructured materials Nanotubes
  • Language: English
  • Type: Thesis , Masters , Chemistry
  • Identifier: http://hdl.handle.net/10353/11795 , vital:39107
  • Description: High demand on energy conversion in dye-sensitized solar solar cells (DSSCs), requires development of well-organized TiO2 nanotube (TNT) structures because of their large surface area-to-volume ratio, superior lifetime and provision of optimal pathways for electron percolation. In this work TiO2 nanotube membranes with an average length of 2.40 μm and average pore diameter of 41.08 nm have been fabricated using electrochemical anodisation employing an organic electrolyte consisting of 0.5wt.percent NH4F + 3 vol percent H2O + Glycerol at an applied voltage of 60 V for 12 hours. The fabricated TNTs were annealed at different annealing temperatures. Scanning Electron Microscopy (SEM) showed that anodisation at these conditions yields nanotubes with periodic rings which present the roughness of the walls. Surface SEM images have revealed the presence of porous structures on the fabricated TNT membranes. Also evident from SEM cross-sectional images are multi-layered TiO2 nanotubes with top and bottom layers. The effect of annealing temperature on the structural, morphological and topographical has been investigated for TNTs. Surface SEM morphological analyses have revealed that the surface morphology of the annealed TNTs membranes changes with an increase in annealing temperature from 350°C to 650°C. The surface SEM analysis has revealed that as the annealing temperature increases the fabricated nanotubes deforms and collapses at annealing temperatures above 550°C. The TNTs annealed at 350°C have a modal pore size of 34.56 nm which is somewhat smaller compared to the TNTs annealed at 650°C with a modal pore size of 31.05 nm. Atomic Force Microscopy (AFM) topographical measurements have confirmed the presence of porous structure on the surface of the as-annealed TNTs with a modal pore diameter decreasing with increasing in annealing temperature. SEM-EDS analysis have revealed the presence of Ti, O and C and no other additional impurities. The presence of Ti and O confirms the successful electro-anodization of titanium metal sheets to TNTs. C must be due to glycerol electrolyte that got absorbed onto the TNTs structured during electro anodization. Structure investigation through X-Ray Diffraction (XRD) analysis has revealed that as-anodised TNTs have peaks at 2Ɵ positions 35.62°, 39.02°, 40.76°, 53.55°, 63.49°, 71.14°, and 76.71° belonging to the amorphous phase of TiO2. Additionally XRD analysis has revealed that for the annealed samples in the temperature range from 350°C to 450°C have peaks at 24.66° (101), 27.11° (110) belonging Anatase and Rutile phase of TiO2 respectively. Confocal Raman Spectroscopy (CRM) image analysis through a large area scan, and Raman depth profiling have also been used to evaluate the phase changes in TNTs annealed at different temperatures. CRM large area scan and depth profiling has revealed the presence of Anatase phase of TiO2 with Raman vibration modes at 142.37 cm-1, 199.04 cm-1, 394.67 cm-1,516.16 cm-1 and 639.29 cm-1 and the presence of some Rutile phase of TiO2 peaks with Raman vibration modes at 445.26 cm-1 and 612.07 cm-1. These findings were correlated to the XRD analysis, SEM analysis as well as AFM. In XRD the transformation of Anatase to Rutile phase was observed as the annealing temperature increased, that was also supported by SEM analysis whereby nanotube structures collapsed and deformed as annealing temperature increased due to phase transformation. In AFM pore diameter decreased as annealing temperature increases, which was also due to the effect of phase transformation observed in XRD and CRM. These findings showed that TiO2 nanotube membranes were successfully fabricated, which may have wide applications in the development of electronic materials for the solar devices.
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  • Date Issued: 2017

Synthesis and evaluation of arylpyrrole-chalcone hybrids as antiplasmodial and antitrypanosomal agents

  • Authors: Zulu, Ayanda Ignatia
  • Date: 2017
  • Language: English
  • Type: text , Thesis , Masters , MSc
  • Identifier: http://hdl.handle.net/10962/65268 , vital:28716
  • Description: Expected release date-May 2019
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  • Date Issued: 2017

Synthesis and investigation of the chemosensing properties of novel fluorescent triazolyl coumarin-based polymers

  • Authors: Ngororabanga, Jean Marie Vianney
  • Date: 2017
  • Subjects: Fluorescent polymers Chemical detectors
  • Language: English
  • Type: Thesis , Doctoral , PhD
  • Identifier: http://hdl.handle.net/10948/20110 , vital:29120
  • Description: Environmental pollution by ionic species has become one of the greatest challenges to the sustainable development of communities. Increasing amounts of these ionic species in the environment is associated with several detrimental effects to human health and ecological systems. Proper detection and monitoring of these ionic species is essential. Considering the diversity of the ions and the fact that the available sensors are limited, it is clear that there is need for a rapid and low-cost method for recognition and monitoring of these ions. Fluorescence based methods are ranked among the most powerful transduction systems to signal chemical recognition events. Fluorescent polymers containing triazolyl coumarin units in the polymer backbone or as pendant groups were therefore designed and investigated as potential sensors for these ions. Three methods were used to incorporate triazolyl coumarin units into the polymers. The first method involved polymerization of the vinyl monomer containing the triazolyl coumarin unit. The second method involved AA-BB step-grow click polymerization of diazide and dialkyne-functionalized monomers. The third method involved post-polymerization functionalization of an azide-functionalized polymer with an alkyne functionalized coumarin derivative. In each method, formation of the triazole ring was achieved using a Cu(I)-catalyzed 1,3-dipolar cycloaddition (CuAAC) reaction. The photophysical properties of the polymers and their starting monomers were investigated and compared. Polymers with triazolyl coumarin units in the backbone or as pendant groups were found to have higher absorption and emission intensities than their corresponding monomers while polymers resulting from functionalization of azide-functionalized polymer were found to exhibit improved photophysical properties compared to the starting azide-functionalized polymer. The chemosensing potential of the polymers was investigated through absorption and emission. The polymers were found to be selective towards different metal ions (Fe3+, Hg2+ and Al3+) and anions (-OH and F-). The mechanisms of interaction between the polymers and ions were investigated by comparing the absorption and emission spectra of the polymers to those of their monomers in the presence of an ion of interest. In some cases the mechanism of interaction was supported by 1H NMR and FT-IR.
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  • Date Issued: 2017

Synthesis and photophysical studies of asymmetric zinc phthalocyanine–magnetic nanoparticle conjugates

  • Authors: Matlou, Gauta G , Kobayashi, Nagao , Kimura, Mutsumi , Nyokong, Tebello
  • Date: 2017
  • Subjects: To be catalogued
  • Language: English
  • Type: text , article
  • Identifier: http://hdl.handle.net/10962/232895 , vital:50036 , xlink:href="https://doi.org/10.1039/C7NJ01716B"
  • Description: This work reports on the synthesis and amide bond linkage of carboxylic acid functionalized asymmetric zinc phthalocyanine (ZnPc) complexes to amino magnetic nanoparticles (AMNPs). The work further compares the photophysical and photochemical parameters of the Pc complexes alone with those linked to form ZnPc–AMNPs with further relation to the type of the spacer between the Pc and the AMNPs. Infrared spectroscopy confirmed the presence of the amide bond formed between the Pc complexes and the AMNPs. The triplet quantum yields ranged from 0.62 to 0.87. However, low singlet oxygen quantum yields were obtained due to competing pathways and the insufficient energy transfer from the excited triplet state of the ZnPc molecules to the molecular oxygen.
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  • Date Issued: 2017

Synthesis and photophysical studies of crown ether-bodipy dyes and the fabrication of bodipy embedded fluorescent nanofibers

  • Authors: Stone, Justin
  • Date: 2017
  • Language: English
  • Type: Thesis , Masters , MSc
  • Identifier: http://hdl.handle.net/10962/4953 , vital:20746
  • Description: This study has three major objectives: 1) to synthesize a series of structurally related BODIPY dyes, 2) to fabricate BODIPY embedded electrospun nanofibers, and 3) to investigate and characterize the photophysical properties of all synthesized BODIPY dyes with a special focus on their ability to generate singlet oxygen. This thesis first explores the acid catalysed condensation reaction to produce two structurally analogous meso-substituted BODIPY dyes based on cuminaldehyde and 4-dimethylaminobenzaldehdye. In order to enhance the rate of ISC and promote the generation of reactive oxygen species bromine atoms were then attached to the BODIPY 2,6-positions. These BODIPY dyes were then embedded in a polystyrene solution and electrospun into nanofibers. The resulting nanofibers were found to be highly fluorescent, but were no longer able to generate singlet oxygen. Ion-sensitive BODIPYs were prepared from the dibrominated BODIPY dyes by employing a modified Knoevenagel condensation reaction to form a styryl bond with 4’-formylbenzo-15-crown-5 at the 3,5-position of the BODIPY core. Changes in the morphology and position of the absorption and emission spectra of these crown ether-styryl BODIPY dyes were observed in the presence of sodium ions. These results imply that crown ether-substituted BODIPY dyes could function as ion sensors.
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  • Date Issued: 2017

Synthesis and physicochemical evaluation of a series of boron dipyrromethene dye derivatives for potential utility in antimicrobial photodynamic therapy and nonlinear optics

  • Authors: Kubheka, Gugu Patience
  • Date: 2017
  • Subjects: Dyes and dyeing -- Chemistry , Photochemotherapy , Cancer -- Photochemotherapy , Anti-infective agents , Nonlinear optics , BODIPY
  • Language: English
  • Type: Thesis , Masters , MSc
  • Identifier: http://hdl.handle.net/10962/4776 , vital:20723
  • Description: A series of new BODIPY dye derivatives have been synthesized and characterized using various characterization tools such as 1H-NMR, MALDI-TOF mass spectrometry, FT-IR, UV-visible spectrophotometry and elemental analysis. The aniline-substituted BODIPY derivative was further coordinated with gold nanorods and the characterization was achieved by transmission electron microscopy (TEM), X-ray diffractometry (XRD) and X-ray photoelectron spectroscopy (XPS).In addition to this dye, quaternized BODIPY dyes were also synthesized and investigated for their potential utility as photosentitizers in antimicrobial photodynamic therapy (APDT).BODIPY dyes with pyrene substituted styryl groups were embedded in polymer thin film using poly(bisphenol A carbonate) (PBC) to study their optical limiting properties. The optical limiting values of these BODIPY dyes once embedded in thin films were found to be greatly improved and the limiting intensityof each film was well below the maximum threshold which is set to be 0.95 J.cm-². The physicochemical properties and NLO parameters of all of the synthesized dyes were investigated.
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  • Date Issued: 2017

Synthesis of indium and lead phthalocyanine as photocatalysts for photodynamic antimicrobial chemotherapy and photo-oxidation of pollutants

  • Authors: Oluwole, Oluyinka David
  • Date: 2017
  • Language: English
  • Type: Thesis , Doctoral , PhD
  • Identifier: http://hdl.handle.net/10962/5293 , vital:20805
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  • Date Issued: 2017

Synthesis of indium and lead phthalocyanine as photocatalysts for photodynamic antimicrobial chemotherapy and photo-oxidation of pollutants

  • Authors: Osifeko, Olawale L
  • Date: 2017
  • Language: English
  • Type: Thesis , Doctoral , PhD
  • Identifier: http://hdl.handle.net/10962/5221 , vital:20790
  • Description: This thesis explores the synthesis of metallophthalocyanines as potential photosensitizers for application in photodynamic antimicrobial chemotherapy and phototransformation of environmental pollutants. The metallophthalocyanines containing amino substituent were conjugated with magnetic nanoparticle and semiconductor quantum dots via an amide bond and by chemisorption onto gold nanoparticles surface. Techniques such as time-resolved fluorescence measurements, transmission electron microscopy, X-ray photoelectron spectroscopy (XPS), elemental analysis, fourier transform infrared (FTIR), nuclear magnetic resonance (¹H, ¹³C, and cozy of symmetrical phthalocyanine), electronic spectroscopy, as well as mass spectroscopy were employed to characterize all metallophthalocyanines. Quarternized pyridyloxy substituted phthalocyanine and asymmetric (AB3) metallophthalocyanines were embedded in electrospun polystyrene fiber. General trends are described for quantum yields of fluorescence, triplet, singlet oxygen and photodegradation as well as lifetimes of fluorescence and triplet state of the compounds. There is an increase in triplet quantum yield for Pcs in the presence of gold nanoparticles (AuNPs) and semiconductor quantum dots (QDs), but not in the presence of magnetic nanoparticles (MNPs). Photodynamic inactivation of Escherichia coli with the quarternized photosensitizers at low concentrations totally inactivate the bacteria compared to non-charged photosensitiser. Also, a similar trend was observed for the magnetic nanoparticles conjugates. Photooxidations of bisphenol A and 4-chlorophenol were carried out in this study using two asymmetric Indium(III) phthalocyanines photosensitizers. The photooxidation reactions were compared with those of a symmetrical indium(III) phthalocyanines containing four quaternized 4-pyridyloxy substituents. The complexes were embedded in electrospun polystyrene fiber for heterogeneous photocatalysis. The immobilized photosensitizers possess good singlet oxygen generation potentials in aqueous media. The asymmetrical phthalocyanine containing 4-pyridylsulfanyl and one aminophenoxy showed the best photocatalytic behavior.
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  • Date Issued: 2017

Synthesis of L-menthyl glyoxylate, an important intermediate in the manufacture of ARVS, using flow chemistry technology

  • Authors: Moyo, McQuillan
  • Date: 2017
  • Subjects: Chemistry , Pharmaceutical chemistry , Organic compounds -- Synthesis
  • Language: English
  • Type: Thesis , Masters , MSc
  • Identifier: http://hdl.handle.net/10948/12019 , vital:27018
  • Description: Herein an alternative approach to the conventional batch synthesis of L-menthyl glyoxylate hydrate (MGH), an important intermediate in the synthesis of drugs of importance is reported, through flow chemistry technology. MGH was initially synthesized in batch and various reaction parameters optimized. It was found to proceed to completion after 6 hours of esterifying glyoxylic acid with excess alcohol (L-menthol) in the presence of a catalyst, ideally amberlyst-15 (an ion exchange resin) at 105 °C giving a yield of 72 %. The batch reaction conditions were adopted in a continuous flow synthesis setup, using the Labtrix Start system, in which reaction conditions were optimized. The optimization of glyoxylic acid conversion (92 %) in the Labtrix Start system gave reaction conditions that resulted in low MGH selectivity (25 %) whereas the optimization for MGH selectivity (100 %) gave a conversion a poor glyoxylic acid conversion (15 %). The FlowSyn system fitted with a column reactor gave the best results, in which the optimum conditions were an excess of L-menthol (1.5 M, 6.0 equiv.), temperature (80 °C) and a residence time of 2.5 minutes with a high selectivity (77 %) and average conversion (50 %). The optimized reaction conditions for conversion and selectivity on the different flow systems did not vary significantly and similar trends were observed for the systems. It was shown that an increase in temperature, mole equivalents and residence time led to an increase in MGH conversion in all flow systems. The scale up of the esterification reaction from the Labtrix Start system (19 μL microreactor) to the FlowSyn system fitted with a 2 mL reactor chip, showed that the reaction proceeds with a slight drop in selectivity from 100 % to 92 % while conversion dropped from 15 to 12 %. On the contrary, a significant drop in conversion and selectivity were observed when the FlowSyn column reactor was up-scaled to the Elite-tubular furnace, owing to the poor mixing in the larger channel size reactor.
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  • Date Issued: 2017

Synthesis of modified zinc oxide nanoparticles using pneumatic spray pyrolysis for solar cell application

  • Authors: Ntozakhe, Luyolo
  • Date: 2017
  • Subjects: Zinc oxide -- Synthesis Nanoparticles
  • Language: English
  • Type: Thesis , Masters , MSc
  • Identifier: http://hdl.handle.net/10353/5862 , vital:29408
  • Description: In this work, the pneumatic spray pyrolysis was used to synthesize un-doped and carbon doped zinc oxide (ZnO) nanoparticles. The zinc acetate, tetrabutylammonium bromide and ethanol were used as starting materials for the desired ZnO nanoparticles and the prepared samples were annealed at 400 oC in the furnace. The as synthesized un-doped and carbon doped ZnO NPs were evaluated using X-ray diffraction (XRD), Scanning electron microscope (SEM), Energy dispersive x-ray spectroscopy (EDX), High-resolution transmission electron microscopy (HRTEM), Raman spectroscopy (RS) and Ultraviolet-visible spectroscopy (UV-Vis). XRD analysis of the synthesized NPs revealed peaks at 31.90°, 34.50°, 36.34°, 47.73°, 56.88°, 63.04°, 68.20°, and 77.33° belonging to the hexagonal Wurtzite ZnO crystal structure. The incorporation of C species into ZnO lattice was cross examined by monitoring the peak positions of the (100), (002) and (001) planes. These three main peaks of C-ZnO NPs show a peak shift to higher 2θ values which indicates substitutional carbon doping in ZnO NPs. SEM analysis has revealed that the as synthesized NPs have spherical shape and the morphology of the NPs change as the concentration of carbon increases. The EDX spectra of both un-doped and doped ZnO nanoparticles have revealed prominent peaks at 0.51 keV, 1.01 keV, 1.49 keV, 8.87 keV and 9.86 keV. Peaks at, X-ray energies of 0.51 keV and 1.01 keV respectively represent the emissions from the K-shell of oxygen and L-shell of zinc. The L-shell emission at 1.01 keV is considered as convolution of Zn 2p3/2 and Zn 2p1/2 photoelectron energies. The occurrence of these peaks in the EDX endorses the existence of Zn and O atoms in the PSP prepared samples. HRTEM analysis has revealed NPs size modal range from 6.65-14.21 nm for the PSP synthesized samples which is in mutual agreement with the XRD data calculated values. More over the selected area diffraction images displaying the fact that only the diffraction planes of (101), (002) and (100) are responsible for the diffraction pattern belonging to Wurtzite ZnO. RS analysis has revealed that the un-doped ZnO and doped ZnO samples have characteristic Raman vibration modes at 325 cm-1, and 434 cm-1 belonging to Wurtzite ZnO structure. Moreover, the prominent peak at 434 cm-1 which is the characteristic peak of E2(2) (high) mode of the Wurtzite ZnO and the E2(2) (high) has been red shifted by 4 cm-1, as compared to that found in the bulk ZnO. Additionally, the effect of carbon doping through Raman spectroscopy peak shifts of the E2(2) (high) mode, A1(LO) mode and multi-phonon has also been considered and discussed in detail. UV-Vis diffuse reflectance spectroscopy has revealed a red shift of the absorption edge with increase in C doping. Finally, the effect of nano-crystallite size and gradual prominence of C into ZnO lattice due to increase in C doping concentration in the PSP prepared nanoparticles was meticulously elaborated through Raman Spectroscopy analysis.
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  • Date Issued: 2017

Synthesis of silver nanoparticles from a Desmodium adscendens extract and its antibacterial evaluation on wound dressing material

  • Authors: Lakkakula, Jaya R , Ndinteh, Derek T , van Vuuren, Sandy F , Olivier, Denise K , Krause, Rui W M
  • Date: 2017
  • Subjects: To be catalogued
  • Language: English
  • Type: text , article
  • Identifier: http://hdl.handle.net/10962/195025 , vital:45520 , xlink:href="https://doi.org/10.1049/iet-nbt.2017.0084"
  • Description: The one-pot synthesis of silver nanoparticles (AgNPs) using the medium-polar extract of Desmodium adscendens (Sw.) DC. is presented here as an alternative synthesis of metal NPs. Characterisation of the formed NPs showed polydispersed AgNPs ranging from 15 to 100 nm where the concentration of metal ions was found to play a role in the size and shape of the prepared NPs. It could be established that the flavonoids, saponins, and alkaloids present in the extract acted as both reducing and stabilising agents during the formation of the capped metal NPs. This means of NP synthesis was also employed during the in situ immobilisation of AgNPs on gauze and plaster. An evaluation of the antibacterial activity of the medium-polar D. adscendens extract, AgNPs suspended in solution, and the immobilised AgNPs against Staphylococcus aureus (ATCC 25923), Bacillus cereus (ATCC 11778), and Escherichia coli (ATCC 25922) showed high efficacy against the latter in particular. This suggests that gauze, dilute silver nitrate solutions, and D. adscendens extract could be used successfully in the simple in situ preparation of effective antibacterial wound dressings.
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  • Date Issued: 2017

Synthesis, characterisation and evaluation of benzoxaborole-based hybrids as antiplasmodial agents

  • Authors: Gumbo, Maureen
  • Date: 2017
  • Subjects: Malaria Chemotherapy , Antimalarials , Boron compounds , Drug resistance , Plasmodium falciparum , Drug development
  • Language: English
  • Type: Master's theses , text
  • Identifier: http://hdl.handle.net/10962/59193 , vital:27456
  • Description: Malaria is a mosquito-borne disease, which continues to pose a threat to the entire humanity. About 40% of the world population is estimated to be at risk of infections by malaria. Despite efforts undertaken by scientific community, government entities and international organizations, malaria is still rampant. The major problem is drug resistance, where the Plasmodium spp have over the past decades developed drug resistance against available drugs. In order to counter this problem, novel antimalarial drugs that are efficacious and with novel mode of action are of great necessity. Benzoxaborole derivatives have been shown to exhibit promising antimalarial activity against Plasmodium falciparum strains. Previous studies reported on the compounds such as 6-(2- (alkoxycarbonyl)pyrazinyl-5-oxy)-1,3-dihydro-1-hydroxy-2,1-benzoxaboroles, which showed good antimalarial activity against both W7 and 3D7 strains without significant toxicity. On the other hand, chloroquine (CQ) and cinnamic acids have a wide variety of biological activity including antimalarial activity. Herein, a hybridisation strategy was employed to synthesise new CQ-benzoxaborole and cinnamoyl-benzoxaborole hybrids. CQ-Benzoxaborole 2.12a-c and cinnamoylbenzoxaborole 2.11a-g hydrid molecules were synthesised in low to good yields. Their structural identities were confirmed using conventional spectroscopic techniques (1H and 13C NMR, and mass spectrometry). CQ-benzoxaborole compounds, however, showed instability, and only 2.12b was used for in vitro biological assay and showed activity comparable to CQ. Furthermore, in vitro biological assay revealed that compounds 2.11a-g poorly inhibited the growth of P. falciparum parasites. Interestingly, these compounds, however, exhibited satisfactory activity against Trypanosoma brucei with IC50 = 0.052 μM for compound 2.11g. The cell cytotoxicity assay of all final compounds confirmed that all CQ-benzoxaborole 2.12b and cinnamoyl-benzoxaborole 2.11a-g hybrids were non-toxic against HeLa cell lines. However, efforts to further expand the structure-activity relationship (SAR) of CQbenzoxaborole by increasing the length of the linker with one extra carbon (Scheme 2.10) were not possible as an important precursor 6-formylbenzoxaborole 2.29 could not be synthesized in sufficient yields. , Thesis (MSc) -- Faculty of Faculty of Science, Chemistry, 2017
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  • Date Issued: 2017

Synthesis, characterisation and evaluation of ferrocene-containing Novobiocin analogues for anticancer and antiplasmodial activity through inhibition of Hsp90

  • Authors: Mbaba, Mziyanda
  • Date: 2017
  • Subjects: Antibiotics Synthesis , Ferrocene , Heat shock proteins , Antimalarials , Cancer Chemotherapy
  • Language: English
  • Type: Master's theses , text
  • Identifier: http://hdl.handle.net/10962/65111 , vital:28690
  • Description: Novobiocin (Nb) is a coumarin type antibiotic isolated from the bacterium species of Streptomyces and possesses modest anticancer and antimalarial activities. Nb and analogues have been extensively explored as potential anticancer agents through inhibition of the C- terminal domain of heat shock protein 90 (Hsp90), which plays a pivotal role in the proteinfolding machinery of cells. There has been little effort in the exploration of Nb and derivatives for antimalarial activity. Incorporation of organometallic units, such as ferrocene (Fc), into bioactive chemical scaffolds remains an attractive approach for developing new therapeutic agents for treatment of several ailments. The current study sought to investigate the anticancer and antiplasmodial effects of incorporating ferrocene (Fc) into Nb scaffold presumably through inhibition of Hsp90. The ferrocenyl Nb analogues containing simplified structural motifs such as phenyl, benzyl, and piperidine were synthesized in six to nine steps employing conventional synthetic organic protocols adapted from literature, and the compounds were accessed in reasonable yields. For comparison purposes, a selection of organic Nb analogues were also included in the study. The target compounds were characterized by spectroscopic techniques including 1-dimensional nuclear magnetic resonance (1D NMR) and high-resolution mass spectroscopy. The synthesized compounds were evaluated in vitro for potential anticancer and antiplasmodial activities using the breast cancer cell line (HCC38) and chloroquine-sensitive strain (3D7) of the malaria parasite, Plasmodium falciparum. The presence of the Fc unit was found to enhance both anticancer and antiplasmodial activities of the resultant ferrocenyl Nb compounds with IC50 values in the low to mid micromolar range. Hsp90 inhibitory studies of the ferrocenyl Nb analogues possessing superior activities (2.13a and 2.20c) were also conducted using different yeast strains expressing both human and malarial Hsp90 isoforms: hHsp90a/p and PfHsp90, respectively. The results of Hsp90 inhibitory studies suggested no direct correlation between the observed activities of the analogues and Hsp90 inhibition. However, since the conditions of the assay were not optimised due to time constrains of the project, these observed data remained to be confirmed. , Thesis (MSc) -- Faculty of Science, Chemistry, 2017
  • Full Text:
  • Date Issued: 2017

Synthesis, characterisation and evaluation of novel ferrocene-thiazole derivatives as antiplasmodial agents

  • Authors: Hakizimana, Emmanuel Victor
  • Date: 2017
  • Subjects: Plasmodium , Malaria -- Chemotherapy , Plasmodium falciparum , Plasmodium -- Inhibitors , Drug resistance in microorganisms , Thiaszoles
  • Language: English
  • Type: Thesis , Masters , MSc
  • Identifier: http://hdl.handle.net/10962/5304 , vital:20807
  • Description: Malaria is mosquito-transmitted disease which continues to pose threat to humanity, despite the efforts undertaken by the scientific community, government entities and international organizations. The major problem is that Plasmodium species have developed resistance against available drugs. In order to counter this problem, antimalarial drugs that are efficacious and with novel mode of action are of great necessity. Thiazole derivatives, in particular aminomethylthiazole analogues, have been shown to exhibit promising antimalarial activity against Plasmodium falciparum strains. Previous studies reported the hit compound MMV010539, which showed good antimalarial activity against both K1 (CQ and multidrug resistant strains) and NF54 (CQ sensitive strain). In this study, MMV010539 was deemed to be as an attractive compound to generate novel analogues by addition of ferrocenyl organometallic unit. The ferrocene based compounds have shown biological activity; and with ferroquine currently in clinical trials there has been increasing research into identifying new ferrocenyl-containing molecules as potential antimalarial agents. Herein, thiazole ferrocene based molecules 3.22a-e were synthesised in low to good yields. Their structural identities were confirmed using conventional spectroscopic techniques (¹H and ¹³C NMR, FT-IR spectroscopy and mass spectrometry). The cell cytotoxicity assay of all final compounds confirmed that all ferrocene-thiazole blends 3.22a-e were non-toxic against HeLa cell lines. However, the in vitro biological assay revealed that despite the absence of cell cytotoxicity these compounds poorly inhibited the growth of Plasmodium falciparum parasite. As the aim was to expand further the structure-activity relationship (SAR) of MMV010539, this study confirmed the previous findings that there is a limited structural modification that could be accommodated as indicated in Figure 3.3 (Panel C). Moreover, the combination of ferrocenyl moiety and various alkylamines resulted in compounds with poor antiplasmodial potency, further suggesting that the free amine (Panel A, Figure 3.3) is important for activity.
  • Full Text:
  • Date Issued: 2017

Synthesis, characterisation and evaluation of novel ferrocene-thiazole derivatives as antiplasmodial agents

  • Authors: Hakizimana, Emmanuel Victor
  • Date: 2017
  • Subjects: Plasmodium , Malaria -- Chemotherapy , Plasmodium falciparum , Plasmodium -- Inhibitors , Drug resistance in microorganisms , Thiaszoles
  • Language: English
  • Type: Thesis , Masters , MSc
  • Identifier: http://hdl.handle.net/10962/96068 , vital:31232
  • Description: Malaria is mosquito-transmitted disease which continues to pose threat to humanity, despite the efforts undertaken by the scientific community, government entities and international organizations. The major problem is that Plasmodium species have developed resistance against available drugs. In order to counter this problem, antimalarial drugs that are efficacious and with novel mode of action are of great necessity. Thiazole derivatives, in particular aminomethylthiazole analogues, have been shown to exhibit promising antimalarial activity against Plasmodium falciparum strains. Previous studies reported the hit compound MMV010539, which showed good antimalarial activity against both K1 (CQ and multidrug resistant strains) and NF54 (CQ sensitive strain). In this study, MMV010539 was deemed to be as an attractive compound to generate novel analogues by addition of ferrocenyl organometallic unit. The ferrocene based compounds have shown biological activity; and with ferroquine currently in clinical trials there has been increasing research into identifying new ferrocenyl-containing molecules as potential antimalarial agents. Herein, thiazole ferrocene based molecules 3.22a-e were synthesised in low to good yields. Their structural identities were confirmed using conventional spectroscopic techniques (¹H and ¹³C NMR, FT-IR spectroscopy and mass spectrometry). The cell cytotoxicity assay of all final compounds confirmed that all ferrocene-thiazole blends 3.22a-e were non-toxic against HeLa cell lines. However, the in vitro biological assay revealed that despite the absence of cell cytotoxicity these compounds poorly inhibited the growth of Plasmodium falciparum parasite. As the aim was to expand further the structure-activity relationship (SAR) of MMV010539, this study confirmed the previous findings that there is a limited structural modification that could be accommodated as indicated in Figure 3.3 (Panel C). Moreover, the combination of ferrocenyl moiety and various alkylamines resulted in compounds with poor antiplasmodial potency, further suggesting that the free amine (Panel A, Figure 3.3) is important for activity.
  • Full Text:
  • Date Issued: 2017

Synthesis, crystal structures and molecular modelling of rare earth complexes with bis(2-pyridylmethyl)amine: aim topological analysis and ligand conformation search

  • Authors: Matthews, Cameron
  • Date: 2017
  • Subjects: Rare earths , Ligands , Complex compounds
  • Language: English
  • Type: Thesis , Masters , MSc
  • Identifier: http://hdl.handle.net/10948/8230 , vital:26229
  • Description: Eight rare earth complexes with bis(2-pyridylmethyl)amine (DPA) were synthesised and recrystallised, under air-sensitive or low moisture conditions. The crystal structures were successfully determined, via SC-XRD, and the asymmetric units of five complexes (1, 3, 5, 6 and 7) were submitted for DFT molecular modelling calculations, which involved geometry optimisation and frequency calculations. The neutral complexes obtained were bis(bis(2-pyridylmethyl)amine)-trichloro-lanthanum(III) [LaCl3(DPA)2] (1), bis(bis(2-pyridylmethyl)amine)-trichloro-cerium(III)) [CeCl3(DPA)2] (2), bis(μ2-chloro)-diaqua-tetrachloro-bis(bis(2-pyridylmethyl)amine)-di-praseodymium(III) [PrCl2(μ-Cl)(DPA)(OH2)]2 (3) and bis(μ2-methoxo)-bis(bis(2-pyridylmethyl)amine)- tetrachloro-di-dysprosium(III) [DyCl2(μ-OCH3)(DPA)]2 (4). The cationic complexes obtained in this study were dichloro-bis(bis(2-pyridylmethyl)amine)- neodymium(III) chloride methanol solvate [NdCl2(DPA)2]Cl·CH3OH (5), dichloro-bis(bis(2- pyridylmethyl)amine)-dysprosium(III) chloride methanol solvate [DyCl2(DPA)2]Cl·CH3OH (6), dichloro-bis(bis(2-pyridylmethyl)amine)-yttrium(III) chloride methanol solvate [YCl2(DPA)2]Cl·CH3OH (7) and dichloro-bis(bis(2-pyridylmethyl)amine)-lutetium(III) chloride methanol solvate [LuCl2(DPA)2]Cl·CH3OH (8). The ‘Quantum theory of atoms in molecules’ approach was used to investigate the electron density topology, primarily in order to investigate the hydrogen and coordination bonds for three of the eight complexes. Two of the neutral complexes contain the ‘early’ rare earth elements lanthanum and praseodymium and one cationic complex contains the ‘late’ lanthanide element dysprosium. Noncovalent interaction analysis was also performed on the aforementioned complexes in order to gain a deeper understanding of the intra-molecular stereo-electronic interactions. Spin density analysis was used to investigate the distribution of unpaired electron density at and around the metal centres of the aforementioned paramagnetic Pr- and Dy-complexes. A ligand conformation search for DPA was undertaken and 32 low energy conformers were identified and their relative energies were determined using two DFT functionals, namely M06 and M06-2X.
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  • Date Issued: 2017

Synthesis, photophysical and nonlinear optical properties of a series of ball-type phthalocyanines in solution and thin films

  • Authors: Nwaji, Njemuwa , Mack, John , Britton, Jonathan , Nyokong, Tebello
  • Date: 2017
  • Subjects: To be catalogued
  • Language: English
  • Type: text , article
  • Identifier: http://hdl.handle.net/10962/188976 , vital:44803 , xlink:href="https://doi.org/10.1039/C6NJ03662G"
  • Description: In this study, we report on the enhanced nonlinear optical properties of novel tetrakis-4-(hexadecane-1,2-dioxyl)-bis(phthalocyaninato zinc(II)) (4), tetrakis-4-(hexadecane-1,2-dioxyl)-bis(phthalocyaninato gallium chloride) (5) and tetrakis-4-(hexadecane-1,2-dioxyl)-bis(phthalocyaninato indium chloride) (6) both in solution and when embedded in polymer thin films. Complexes 5 and 6 bearing heavy atoms showed enhanced triplet quantum yield and nonlinear optical response. The nonlinear third-order susceptibility and second-order hyperpolarizability values are also reported. Time dependent density functional theory (TD-DFT) calculations were performed in order to explain the origin of the observed UV-vis and magnetic circular dichroism (MCD) spectra of the complexes.
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  • Date Issued: 2017
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