Department of Chemical and Earth Sciences
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The Department of Chemical and Earth Sciences collection provides access to the academic and research outputs of staff and students. This collection includes research publications, conference papers, and examination question papers. The Department encompasses a broad range of disciplines, including Geography and Environmental Studies, Applied Remote Sensing & Geographic Information Systems (GIS), Geology, and Pure and Applied Chemistry. By integrating theoretical knowledge with practical laboratory and field-based research, the Department equips students with analytical, technical, and problem-solving skills to address scientific, environmental, and societal challenges. Through the preservation and dissemination of these resources, the collection supports teaching, learning, and research, while fostering innovation, environmental stewardship, and sustainable development within the University and the wider community.
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Item A Review on SARS-CoV-2 Genome in the Aquatic Environment of Africa: Prevalence, Persistence and the Future Prospects(MDPI, 2022-06-24) Ebomah, Kingsley Ehi; Msolo, Luyanda; Okoh, Anthony IfeanyiThe COVID-19 pandemic (Coronavirus disease 2019) remains problematic in all its manifestations on the global stage where countless events of human-to-human exposure have led to fatal cases; thus, the aftermath being an unprecedented public health concern, with inaccessible health care and the instability of economies and financial institutions. These pose massive obstacles that can insatiably devour existing human resources causing negative impacts, especially in developing countries. Tracking the origin, dissemination and mutating strains of the novel severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) on population-wide scales is a somewhat overwhelming task, with the urgent need to map the dissemination and magnitude of SARS-CoV-2 in near real-time. This review paper focuses on the poor sanitation of some waterbodies and wastewater management policies in low-income African countries, highlighting how these contribute to the COVID-19 pandemic on the continent. Since the outbreak of the novel coronavirus pandemic, there has been an upsurge in scientific literature and studies concerning SARS-CoV-2 with different opinions and findings. The current paper highlights the challenges and also summarizes the environmental aspects related to the monitoring and fate of the SARS-CoV-2 genomes in the aquatic milieu of Sub-Saharan Africa.Item Aliphatic mixed ligands Sn(II) complexes as photon absorbers in quantum dots sensitized solar cell(Elsevier, 2022-04) Agoro, Mojeed A. ; Meyer, Edson L. ; Mbese, Johannes Z. ; Fuku, Xolile ; Ahia, Chinedu C.Dye-sensitized solar cells have attracted a lot of research interest due to the quest for an alternative energy supply given that it is cost-effective and its materials are easily available. However, the need to improve the conversion efficiency of these solar cell devices has necessitated the search for new materials that will lead to more energy conversion. One of such material of interest is tin (II) sulfide (SnS). In present study, we report results from the synthesis of hexadecylamine (HDA)-capped SnS and uncapped SnS photosensitizer using a molecular precursor. The efficiency of the photon absorbers, their morphological, structural and electrochemical properties were examined using different techniques. Both photosensitizers displayed X-ray diffraction (XRD) peaks within the range 26.03 –66.05 , which corresponds to orthorhombic structure. Field Emission Scanning Electron Microscope (FE-SEM) and High-Resolution Transmission Electron Microscope (HRTEM) further revealed that HDA-capped SnS has a better morphology and size distribution. UV–Vis analysis shows that the HDA-capped SnS exhibits strong absorption in the entire visible region which is attributed to perfect orientation. The HDA-capped photosensitizer superiority was linked to well reduced electron recombination and electron lifetime. The addition of HDA capping agent improved the J-V performance with a new conversion efficiency of 8.20%. Results obtained from present work proselytize the concept of using capping agent as an approach for improving the quality of photon absorbers.Item Assessing drought impacts on riparian vegetation and local community adaptation: A case of Buffalo River Catchment, Eastern Cape province, South Africa(University of Fort Hare, 2023) Mpanyaro, Zolisanani; Kalumba, A.M.; Zhou, L.River catchments are vulnerable to drought events that significantly affect the ecosystem and the livelihoods of local communities, especially in water-scarce countries like South Africa. The significance of the Buffalo River catchment lies in its ecological value and the vital role it plays in supporting local communities. Despite the catchment's importance, there is a notable lack of documented evidence on drought effects in the area, underscoring the need for this research. Accordingly, the study assessed the impacts of drought on riparian vegetation and local communities’ adaptation strategies (1990 to 2020). To this end, the study utilised Landsat imagery, various indices (NDVI, TDVI, MNDWI), and the Standardized Precipitation Index (SPI), along with semi-structured questionnaires. The findings indicated that drought events resulted in precipitation variability (SPI 6 and 12 months), and a decline in river discharge (R² = 0.0235) with a moderately positive correlation (r = 0.77) between precipitation and water drainage. These results indicate adverse effects on riparian vegetation, leading to substantial challenges for local communities that rely on these resources. Local communities relying on riparian resources have faced significant disruptions, such as reduced agricultural productivity, limited water access, and various socio-economic challenges due to drought. As a result, the local community in the Buffalo River catchment has devised various adaptation strategies to drought impacts. The communities have experienced reduced agricultural productivity, limited water access, and other socio-economic difficulties due to drought. In response, they adopted several adaptation strategies, such as rainwater harvesting (65%), water reuse (36%), livelihood diversification (20%) conservation (12%), and alternative water sources (6%). The significance of this research lies in its potential to guide policymakers in developing community-based adaptation strategies, which could enhance the resilience and sustainability of river ecosystems in drought-prone areas.Item Assessing the extent and impacts of illegal sand mining along the Wild Coast Zone of the Amathole District in the Eastern Cape province, South Africa(University of Fort Hare, 2024) Dandala, Mzikayise Colemand; Nel, W.; Kalumba, A.M.Sand mining is widespread, and its practice is increasing in developing and developed nations. However, the increased demand for sand has led some communities to mine sand illegally. Illegal sand mining brings irreversible environmental damage, and the physical and environmental effects of sand mining have developed into crises that often result in changes in land use dynamics. The Wild Coast zone of South Africa is recognised as an international biodiversity hotspot. Therefore, assessing the extent and impacts of illegal sand mining in this biodiversity hotspot is crucial for guiding environmental planning. However, traditional methods for monitoring illegal sand mining are time-consuming and costly. This study employed a monitoring and modelling spatiotemporal approach, which is non-destructive, costeffective, covers larger areas, and is a time-saving alternative to conventional methods. The research objectives were: (i) to evaluate the spatial and temporal trends of illegal sand mining (i.e., pit size) along the coastal zone from Kei River mouth to Lubanzi River mouth over the last 22 years (2000 – 2022) and (ii) to assess the impact of illegal sand mining activities on the landscape dynamics (i.e., land use change and vegetation cover change) in the study area. Aerial images and field surveys were used to assess the extent of illegal sand mining over the last few years. Additionally, 30-meter resolution images of Landsat from 2000 to 2022 were used to assess land cover and vegetation changes. The comprehensive analysis of illegal sand mining activities along the Eastern Cape coast from 2000 to 2022 has provided valuable insights into the escalating challenges of unauthorised extraction. The study identified a minimum of 24 illegal sand mining sites, with evidence indicating a significant growth in illegal sand mining activities over the observed period. The spatial extent of sand pits has expanded, reflecting the increasing demand for construction materials driven by rapid population growth. The physical damage caused by illegal sand mining was observed across most areas, with noticeable aftereffects such as the creation of sand pits and dumping. These findings underscore the urgency of addressing the drivers behind the growth of illegal sand mining, particularly the need for stronger legislation and law enforcement to curb unauthorised extraction. The assessment of the impact of illegal sand mining on landscape dynamics revealed significant changes in land use patterns, particularly in the conversion of vegetated lands to bare soil. The transition from other vegetation to bare soil highlights the early stages of environmental degradation resulting from sand mining activities. Additionally, the decline in forest and water areas underscores the loss of critical ecosystems along the coastal zone. This study highlights the pressing need for comprehensive regulatory measures and stakeholder collaboration to address the growing threat of illegal sand mining. By understanding sand mining activities' spatial and temporal trends and their impact on landscape dynamics, policymakers can develop targeted interventions to safeguard coastal ecosystems and promote sustainable development in the Eastern Cape region and beyond.Item Biofungicides for Improvement of Potato (Solanum tuberosum L) Production(Wiley, 2022-10-03) Ehiobu, M.; Afolayan, AJ.; Idamokoro, M.Potato (Solanum tuberosum L) cultivation originated from Peru in Latin America. e cultivation has spread fast across the globe due to its ability to cope in the warm tropical and temperate climate. It is spotted by the United Nations as the only tuberous crop that can compete with the cereals in productivity. Fungal disease infestation has been identi ed as a major challenge confronting the farmers during the cultivation and marketing processes. Farmers’ reliance on Chemical fungicides has lost its credibility to the adoption of the use of biofungicides due to its toxic, high cost, and environmental hazard e ects. e trend of the adoption of biofungicides by potato farmers is gaining ground at a fast rate. Various national governments are devising means of collaborating with the United Nations stakeholders through encouraging research funding and by organizing conferences that will enhance potato production. is could be achieved by minimizing losses through farmer’s complete adoption of biofungicides. is review, therefore, examines the various botanicals with antimicrobial properties as potential biofungicide against fungi diseases of potato.Item Biological evaluation and semi-synthesis of Isolated compounds from (Syzygium aromaticum (L.) Merr. & Perry) Buds(University of Fort Hare, 2014) Sibusiso, Rali; Oyedeji, O O; Nkeh-Chungag, B NNatural products play a fundamental role in modern drug discovery as they continue providing diverse bioactive lead compounds for new drug formulation. However, isolation of these valued compounds is problematic. On the other hand, the morbidity and mortality rates caused by non-communicable diseases are increasing with improved longevity. Thus, the study herein focused on the isolation of plant-derived compounds from Syzygium aromaticum and evaluated their biological properties. Syzygium aromaticum is a well-known plant which belongs to family Myrtaceae. Dried flower buds of S. aromaticum were subjected to sequential solvent extraction. The ethyl acetate extract (15.535 g) was subjected to column chromatography using a silica gel (0.063-0.200 mm) for isolation. This has led to the isolation of three distinct compounds that were identified as eugenol, maslinic acid (MA) and oleanolic acid (OA). The structural elucidation of these valued compounds was done using NMR, GC-MS, LC-MS, FT-IR and Mp. Further semi-synthesis of the oleanolic acid afforded acetate and ester OA-derived compounds with better solubility properties. All these compounds were evaluated for analgesic and anti-inflammatory properties. All tested compounds were administered at a dose of 40 mg/kg to both Wistar rats and Swiss mice. Significant (p<0.01) analgesic and anti-inflammatory properties are obtained for all compounds. The effects of eugenol in all experiment were better except in the thermal-induced pain or tail flick test. In the case of modified compounds, the formalin induced pain test disclosed that oleanane derived compounds confessed analgesic and anti-inflammatory effects better than OA, whereas, in tale flick test oleanolic acid proved superior analgesic effects compared to all its derivatives with the exception of the acetyl-derivative. Acute anti-inflammatory test showed that acetyl-derivatives were more active than other compounds. In conclusion, chromatographic techniques and semi-synthesise of oleanolic acid have resulted to several plant-derived compounds with analgesic and anti-inflammatory properties. The semi-synthesized compounds may serve as alternative drug candidates for new analgesic and anti-inflammatory drug formulationItem Biological Evaluation and Semi-synthesis of Isolated Compounds from (Syzygium aromaticum (L.) Merr. & Perry) Buds.(University of Fort Hare, 2014) Rali, Sibusiso; Oyedeji, O.O.; Nkeh-Chungag, B.N.Natural products play a fundamental role in modern drug discovery as they continue providing diverse bioactive lead compounds for new drug formulation. However, isolation of these valued compounds is problematic. On the other hand, the morbidity and mortality rates caused by non-communicable diseases are increasing with improved longevity. Thus, the study herein focused on the isolation of plant-derived compounds from Syzygium aromaticum and evaluated their biological properties. Syzygium aromaticum is a well-known plant which belongs to family Myrtaceae. Dried flower buds of S. aromaticum were subjected to sequential solvent extraction. The ethyl acetate extract (15.535 g) was subjected to column chromatography using a silica gel (0.063-0.200 mm) for isolation. This has led to the isolation of three distinct compounds that were identified as eugenol, maslinic acid (MA) and oleanolic acid (OA). The structural elucidation of these valued compounds was done using NMR, GC-MS, LC-MS, FT-IR and Mp. Further semi-synthesis of the oleanolic acid afforded acetate and ester OA-derived compounds with better solubility properties. All these compounds were evaluated for analgesic and anti-inflammatory properties. All tested compounds were administered at a dose of 40 mg/kg to both Wistar rats and Swiss mice. Significant (p<0.01) analgesic and anti-inflammatory properties are obtained for all compounds. The effects of eugenol in all experiment were better except in the thermal-induced pain or tail flick test. In the case of modified compounds, the formalin induced pain test disclosed that oleanane derived compounds confessed analgesic and anti-inflammatory effects better than OA, whereas, in tale flick test oleanolic acid proved superior analgesic effects compared to all its derivatives with the exception of the acetyl- derivative. Acute anti-inflammatory test showed that acetyl-derivatives were more active than other compounds. In conclusion, chromatographic techniques and semi-synthesise of oleanolic acid have resulted to several plant-derived compounds with analgesic and anti-inflammatory properties. The semi-synthesized compounds may serve as alternative drug candidates for new analgesic and anti-inflammatory drug formulation derivative. Acute anti-inflammatory test showed that acetyl-derivatives were more active than other compounds. In conclusion, chromatographic techniques and semi-synthesise of oleanolic acid have resulted to several plant-derived compounds with analgesic and anti-inflammatory properties. The semi-synthesized compounds may serve as alternative drug candidates for new analgesic and anti-inflammatory drug formulation.Item Chalcogenide Perovskites and Perovskite-Based Chalcohalide as Photoabsorbers: A Study of Their Properties, and Potential Photovoltaic Applications(MDPI, 2021-12-18) Adjogri, Shadrack. J. ; Meyer, Edson L.In 2015, a class of unconventional semiconductors, Chalcogenide perovskites, remained projected as possible solar cell materials. The MAPbI3 hybrid lead iodide perovskite has been considered the best so far, and due to its toxicity, the search for potential alternatives was important. As a result, chalcogenide perovskites and perovskite-based chalcohalide have recently been considered options and potential thin-film light absorbers for photovoltaic applications. For the synthesis of novel hybrid perovskites, dimensionality tailoring and compositional substitution methods have been used widely. The study focuses on the optoelectronic properties of chalcogenide perovskites and perovskite-based chalcohalide as possibilities for future photovoltaic applications.Item The characterization and electrochemistry of dye-sensitized solar cells(University of Fort Hare, 2013) Caga, Noloyiso; Meter, E L; Mamphweli, S N; Ajibade, P AIn this study a presentation of the technology behind dye-sensitized solar cells, their design as well as the role of the different parts of the cell. The characterization of the cell is divided into four sections namely: the characterization of the paste required to make the TiO2 film and its optical properties using SEM-EDX and XRD analytical techniques; Analysis of the various absorptions of three Ru-based dyes using UV-Vis spectroscopy, Photoluminescence and Fourier Transform Infra-Red spectroscopy; the characterization and the analyses of the entire cell using Electrochemical Impedance Spectroscopy. The nine cells were prepared by examining RuL2(CN)2 , RuL2(NCS)2 or N3 dye and RuL2(NCS)2 TBA+ or N719 dye. [L = 2,2'-bipyridyl-4,4'-dicarboxylic acid ;TBA = tetra-butyl ammonium] were combined with three electrolytes namely: Z–150 , AN–50 and PN–50. The Iodolyte PN–50 is an iodide based low viscosity electrolyte with 50 mM of tri-iodide dissolved in a solvent called propionitrile (PN). The Iodolyte AN–50 is an iodide based low viscosity electrolyte with 50 mM of tri-iodide dissolved in a solvent called acetonitrile (AN). The Iodolyte Z–150 is an iodide based low viscosity electrolyte with 150 mM of tri-iodide dissolved in a solvent called 3-methoxypropionitrile (MPN) and with additives such an ionic liquid, malkylbenziimidazole and guanidine thiocyanate. A solar simulator was utilized with which the standard solar irradiation can be created in laboratory conditions. The fill factors as well as overall performance efficiencies of the these cells are quite low < 1.0%,.Item Chemical constituents and biological studies of Tagetes minuta L. and Rauvolfia caffra sond(University of Fort Hare, 2015) Mlala, SithenkosiGreen plants synthesize and store a variety of biochemical compounds some of which are extractable as raw material and can be used for various scientific investigations. Different plant parts have different effects as they often contain different active chemical components. Consequently, specific parts or the whole plant can be used for various treatments. The aim of this study was to extract, isolate and characterize the biologically active volatile and non-volatile compounds from Tagetes minuta and Rauvolfia caffra respectively. Tagetes minuta plant was considered for extraction of essential oils using hydrodistillation method. Cis-β-ocimene (38.03 percent), caryophyllene oxide (18.04 percent), alloocimene (25.35 percent), isopropyl tetradecanoate (17.02 percent), cis-ocimene (38.14 percent) and trans-β-ocimene (37.03 percent) were the major components of essential oil analyzed from fresh stem, dried stem, fresh leaf, dried leaf, fresh flower and dried flower respectively. The volatile compounds were identified by Gas Chromatography-Mass Spectrometry (GC-MS) and Gas Chromatography (GC). Essential oil of dried stem leaf and flower parts of T. minuta exhibit antioxidant activity as demonstrated by the DPPH and FRAP bioassays. Crude extracts were extracted from R. caffra stem bark using sequence of solvents namely n-hexane, dichloromethane, ethyl acetate, methanol and ethanol. A white powder, a β-sitosterol (non-volatile compound) was isolated by column chromatography from ethyl acetate fractions of R. caffra stem bark and identified on various spectroscopic techniques such as FTIR and (1D and 2D) NMR. Melting point was also determined to be a sharp 129-130 ºC. DCM, EA, MetOH and EtOH fractions as well as β-Sitosterol (compound SM/01), showed antioxidant activity when tested on DPPH, FRAP, total phenolic and flavonoid bioassays. This antioxidant activity might be due to the presence of hydroxyl groups in the compound and crude fractions. On the other hand, T. minuta’s essential oil showed high antioxidant activity when evaluated on the DPPH and FRAP bioassays, which can be attributed to the presence of oxygenated monoterpenes and sesquiterpenes known to act as free radical scavenging and reducing agents. The use of R. caffra stem bark extracts against hypertension and other diseases by traditional healers could be attributed to the presence of phytochemicals (polyphenols and flavonoids) with known health benefits. Thus, it is recommended that the plant should be exploited further using modern techniques involving separation and purification of compounds that can be used for drug formulation. This study supports the use of T. minuta and R. caffra as the potential natural antioxidant source to manage various diseases including hypertension.Item Chemical constituents and biological studies of Tagetes minuta L. and Rauvolfia caffra Sond(University of Fort Hare, 2015) Mlala, Sithenkosi; Oyedeji, O O; Nkeh-Chungag, B NConsequently, specific parts or the whole plant can be used for various treatments. The aim of this study was to extract, isolate and characterize the biologically active volatile and non-volatile compounds from Tagetes minuta and Rauvolfia caffra respectively. Tagetes minuta plant was considered for extraction of essential oils using hydrodistillation method. Cis-β-ocimene (38.03%), caryophyllene oxide (18.04%), alloocimene (25.35 %), isopropyl tetradecanoate (17.02 %), cis-ocimene (38.14%) and trans-β-ocimene (37.03%) were the major components of essential oil analyzed from fresh stem, dried stem, fresh leaf, dried leaf, fresh flower and dried flower respectively. The volatile compounds were identified by Gas Chromatography-Mass Spectrometry (GC-MS) and Gas Chromatography (GC). Essential oil of dried stem leaf and flower parts of T. minuta exhibit antioxidant activity as demonstrated by the DPPH and FRAP bioassays. Crude extracts were extracted from R. caffra stem bark using sequence of solvents namely n-hexane, dichloromethane, ethyl acetate, methanol and ethanol. A white powder, a β-sitosterol (non-volatile compound) was isolated by column chromatography from ethyl acetate fractions of R. caffra stem bark and identified on various spectroscopic techniques such as FTIR and (1D and 2D) NMR. Melting point was also determined to be a sharp 129-130 ºC. DCM, EA, MetOH and EtOH fractions as well as β-Sitosterol (compound SM/01), showed antioxidant activity when tested on DPPH, FRAP, total phenolic and flavonoid bioassays. This antioxidant activity might be due to the presence of hydroxyl groups in the compound and crude fractions. On the other hand, T. minuta’s essential oil showed high antioxidant activity when evaluated on the DPPH and FRAP bioassays, which can be attributed to the presence of oxygenated monoterpenes and sesquiterpenes known to act as free radical scavenging and reducing agents. The use of R. caffra stem bark extracts against hypertension and other diseases by traditional healers could be attributed to the presence of phytochemicals (polyphenols and flavonoids) with known health benefits. Thus, it is recommended that the plant should be exploited further using modern techniques involving separation and purification of compounds that can be used for drug formulation. This study supports the use of T. minuta and R. caffra as the potential natural antioxidant source to manage various diseases including hypertension.Item Chemical Constituents and Biological Studies of Tagetes minuta L. and Rauvolfia caffra Sond.(University of Fort Hare, 2015) Mlala, Sithenkosi; Oyedeji, O.O.; Nkeh-Chungag, B.N.Green plants synthesize and store a variety of biochemical compounds some of which are extractable as raw material and can be used for various scientific investigations. Different plant parts have different effects as they often contain different active chemical components. Consequently, specific parts or the whole plant can be used for various treatments. The aim of this study was to extract, isolate and characterize the biologically active volatile and non-volatile compounds from Tagetes minuta and Rauvolfia caffra respectively. Tagetes minuta plant was considered for extraction of essential oils using hydrodistillation method. Cis-β-ocimene (38.03%), caryophyllene oxide (18.04%), alloocimene (25.35 %), isopropyl tetradecanoate (17.02 %), cis-ocimene (38.14%) and trans-β-ocimene (37.03%) were the major components of essential oil analyzed from fresh stem, dried stem, fresh leaf, dried leaf, fresh flower and dried flower respectively. The volatile compounds were identified by Gas Chromatography-Mass Spectrometry (GC-MS) and Gas Chromatography (GC). Essential oil of dried stem leaf and flower parts of T. minuta exhibit antioxidant activity as demonstrated by the DPPH and FRAP bioassays. Crude extracts were extracted from R. caffra stem bark using sequence of solvents namely n-hexane, dichloromethane, ethyl acetate, methanol and ethanol. A white powder, a β-sitosterol (non-volatile compound) was isolated by column chromatography from ethyl acetate fractions of R. caffra stem bark and identified on various spectroscopic techniques such as FTIR and (1D and 2D) NMR. Melting point was also determined to be a sharp 129-130 ºC. DCM, EA, MetOH and EtOH fractions as well as β-Sitosterol (compound SM/01), showed antioxidant activity when tested on DPPH, FRAP, total phenolic and flavonoid bioassays. This antioxidant activity might be due to the presence of hydroxyl groups in the compound and crude fractions. On the other hand, T. minuta’s essential oil showed high antioxidant activity when evaluated on the DPPH and FRAP bioassays, which can be attributed to the presence of oxygenated monoterpenes and sesquiterpenes known to act as free radical scavenging and reducing agents. The use of R. caffra stem bark extracts against hypertension and other diseases by traditional healers could be attributed to the presence of phytochemicals (polyphenols and flavonoids) with known health benefits. Thus, it is recommended that the plant should be exploited further using modern techniques involving separation and purification of compounds that can be used for drug formulation. This study supports the use of T. minuta and R. caffra as the potential natural antioxidant source to manage various diseases including hypertension.Item Chemical transformations and phytochemical studies of bioactive components from extracts of Rosmarinus officinalis L(University of Fort Hare, 2010) Okoh, Omobola Oluranti; Sadimenko, A P; Afolayan, A JVariations in the yield, chemical composition, antibacterial, and antioxidant properties of the essential oils of Rosmarinus officinalis L. cultivated in Alice, Eastern Cape of South Africa over a period of 12 months using the solvent-free microwave extraction and traditional hydrodistillation methods were evaluated. The GC-MS analyses of the essential oils revealed the presence of 33 compounds with 1,8-cineole, a-pinene, camphor, verbenone, bornyl acetate and camphene constituting about 80 percent of the oils throughout the period of investigation, with the solvent-free microwave extraction method generally yielding more of the major components than the hydrodistillation method. Each of the major components of the oils varied in quantity and quality of yield at different periods of the year. The method of extraction and time of harvest are of importance to the quantity and quality of essential oil of Rosmarinus officinalis. Higher amounts of oxygenated monoterpenes such as borneol, camphor, terpene- 4-ol, linalool, a-terpeneol were present in the oil of SFME in comparison with HD. However, HD oil contained more monoterpene hydrocarbons such as a-pinene, camphene, β-pinene, myrcene, a-phellanderene, 1,8-cineole, trans- β-ocimene, γ-teprinene, and cis-sabinene hydrate than SFME extracted oil. Accumulation of monoterpene alcohols and ketones was observed during maturation process of Rosmarinus leaves. Quantitative evaluation of antibacterial activity, minimum inhibitory concentration values were determined using a serial microplate dilution method. The essential oils obtained using both methods of extraction were active against all the bacteria tested at a concentration of 10 mg mL-1. The minimum inhibitory concentrations for the SFME extracted oils ranged between 0.23 and 1.88 mg mL-1, while those of the HD extracted oils varied between 0.94 and 7.5 mg mL-1, thus suggesting that the oil obtained by solvent free microwave extraction was more active against bacteria than the oil obtained through hydrodistillation. The antioxidant and free radical scavenging activity of the obtained oils were tested by means of 1,1-diphenyl-2-picrylhydrazyl radical (DPPH+) assay and β- carotene bleaching test. In the DPPH+ assay, while the free radical scavenging activity of the oil obtained by SFME method showed percentage inhibitions of between 48.8 percent and 67 percent, the HD derived oil showed inhibitions of between 52.2 percent and 65.30 percent at concentrations of 0.33, 0.50 and 1.0 mg mL-1, respectively. In the β-carotene bleaching assay, the percentage inhibition increased with increasing concentration of both oils with a higher antioxidant activity of the oil obtained through the SFME than the HD method. Thin layer chromatography (TLC) was used to analyze the chemical composition of the extracts using three eluent solvent systems of varying polarities i. e. CEF, BEA and EMW and sprayed with vanillin-sulfuric acid. The chemical composition of the different extracts was similar with the exception of methanol and water extracts which had only one or two visible compounds after treating with vanillin-spray reagent. To evaluate the number of antibacterial compounds present in the fractions, bioautography was used against two most important nosocomial microorganisms. S. aureus (Gram positive) and E. coli (Gram negative). Nearly all the crude serial extraction fractions contained compounds that inhibited the growth of E. coli. The hexane extract had the most lines of inhibition followed by ethyl acetate. Bioassay-guided fractionation against E. coli was used to isolate antibacterial compounds. The largest number of antibacterial compounds occurred in the hexane fraction. Furthermore we tried to complete the characterization by extracting and studying other biologically important plant metabolites such as phenolic compounds to evaluate the antioxidant capacity of Rosmarinus extracts.Item Chemical transformations and phytochemical studies of bioactive components from extracts of rosmarinus officinalis L.(University of Fort Hare, 2010) Okoh, Omobola OlurantiVariations in the yield, chemical composition, antibacterial, and antioxidant properties of the essential oils of Rosmarinus officinalis L. cultivated in Alice, Eastern Cape of South Africa over a period of 12 months using the solvent-free microwave extraction and traditional hydrodistillation methods were evaluated. The GC-MS analyses of the essential oils revealed the presence of 33 compounds with 1,8-cineole, a-pinene, camphor, verbenone, bornyl acetate and camphene constituting about 80% of the oils throughout the period of investigation, with the solvent-free microwave extraction method generally yielding more of the major components than the hydrodistillation method. Each of the major components of the oils varied in quantity and quality of yield at different periods of the year. The method of extraction and time of harvest are of importance to the quantity and quality of essential oil of Rosmarinus officinalis. Higher amounts of oxygenated monoterpenes such as borneol, camphor, terpene- 4-ol, linalool, a-terpeneol were present in the oil of SFME in comparison with HD. However, HD oil contained more monoterpene hydrocarbons such as a-pinene, camphene, β-pinene, myrcene, a-phellanderene, 1,8-cineole, trans- β-ocimene, γ-teprinene, and cis-sabinene hydrate than SFME extracted oil. Accumulation of monoterpene alcohols and ketones was observed during maturation process of Rosmarinus leaves. Quantitative evaluation of antibacterial activity, minimum inhibitory concentration values were determined using a serial microplate dilution method. The essential oils obtained using both methods of extraction were active against all the bacteria tested at a concentration of 10 mg mL-1. The minimum inhibitory concentrations for the SFME extracted oils ranged between 0.23 and 1.88 mg mL-1, while those of the HD extracted oils varied between 0.94 and 7.5 mg mL-1, thus suggesting that the oil obtained by solvent free microwave extraction was more active against bacteria than the oil obtained through hydrodistillation. The antioxidant and free radical scavenging activity of the obtained oils were tested by means of 1,1-diphenyl-2-picrylhydrazyl radical (DPPH+) assay and β- carotene bleaching test. In the DPPH+ assay, while the free radical scavenging activity of the oil obtained by SFME method showed percentage inhibitions of between 48.8 % and 67 %, the HD derived oil showed inhibitions of between 52.2 % and 65.30 % at concentrations of 0.33, 0.50 and 1.0 mg mL-1, respectively. In the β-carotene bleaching assay, the percentage inhibition increased with increasing concentration of both oils with a higher antioxidant activity of the oil obtained through the SFME than the HD method. Thin layer chromatography (TLC) was used to analyze the chemical composition of the extracts using three eluent solvent systems of varying polarities i. e. CEF, BEA and EMW and sprayed with vanillin-sulfuric acid. The chemical composition of the different extracts was similar with the exception of methanol and water extracts which had only one or two visible compounds after treating with vanillin-spray reagent. To evaluate the number of antibacterial compounds present in the fractions, bioautography was used against two most important nos ocomial microorganisms. S. aureus (Gram positive) and E. coli (Gram negative). Nearly all the crude serial extraction fractions contained compounds that inhibited the growth of E. coli. The hexane extract had the most lines of inhibition followed by ethyl acetate. Bioassay-guided fractionation against E. coli was used to isolate antibacterial compounds. The largest number of antibacterial compounds occurred in the hexane fraction. Furthermore we tried to complete the characterization by extracting and studying other biologically important plant metabolites such as phenolic compounds to evaluate the antioxidant capacity of Rosmarinus extracts.Item Chitosan-based scaffolds incorporated with silver nanoparticles for the treatment of infected wounds(MDPI, 2024-02-24) Alven, Sibusiso; Aderibigbe, Blessing Atim; Bettini, R.; Mennini, N.Bacterial infections are major problems in wound care due to their impact on the retarded process of wound healing, leading to chronic wounds. Most of the presently utilized wound dressing products exhibit poor antimicrobial properties. Wound dressings formulated from chitosan have been reported to be effective for treating infected wounds, resulting from the antibacterial properties of chitosan. The antibacterial properties of chitosan-based wound dressings can be further enhanced by incorporating metallic nanoparticles into them, such as silver, zinc, titanium, etc. The incorporation of silver nanoparticles into chitosan-based wound dressings has been widely explored in the design of antimicrobial wound dressings. The incorporation of silver nanoparticles into chitosan-based wound dressings promotes accelerated wound-healing processes due to enhanced antimicrobial activity. The accelerated wound healing by these metal-based nanoparticles is via the regulation of re-epithelialization and inflammation without affecting the viability of normal cells. However, there have been few reports that evaluate these wound dressings in infectious animal models to prove their efficacy. The in vivo toxicity of silver nanoparticles still needs to be addressed, revealing the need for further preclinical and clinical trials. The fabrication of wound dressings incorporated with silver nanoparticles has not been fully explored, especially for wounds requiring immediate treatment. The possible interactions between silver nanoparticles and chitosan scaffolds that result in synergistic effects still need to be understood and studied. This review provides a comprehensive report on the preclinical outcomes of chitosan wound dressing materials loaded with silver nanoparticles for managing infected wounds.Item Computational studies, synthesis and characterization of ruthenium (ii) anticancer complexes(University of Fort Hare, 2014) Adeniyi, Adebayo Azeez; Ajibade, P AThis thesis is centred on the application of Ru-based complexes as a promising alternative to cis-platin in cancer chemotherapy. Cis-platin is known to be the most prescribed chemotherapy which has more than 70% application in cancer cases especially the testicular cancer. An insight is provided in Chapter One and Two into the literatures reports on the application of Ru(II)-based complexes in cancer chemotherapy. In order to address some of the pressing challenges in rational design of Ru-based anticancer complexes, section 3.3 and 3.4 deal with efforts to elucidate the complication of their chemistry and instability while in section 3.5 efforts are made to find solution to the lack of proper knowledge of their targets using different theoretical approaches as presented in Chapter Three. In addition to the theoretical study, this thesis also comprises of the synthesis of the bis-pyrazole derivatives type of ligands and the derivatives of their Ru(II)-based complexes as provided in Chapter Four and Five respectively. Also the computational methods were used to elucidate the structural and spectroscopic properties of the synthesised ligands and their Ru(II)-based complexes. The geometrical and electronic properties are studied in relation to the stability and the reported anticancer activities of Ru(II)-based complexes in section 3.3. In subsection 3.3.1, several quantum properties including the natural energy decomposition analysis (NEDA) and quantum theory of atoms in a molecule (QTAIM) are computed on three models of RAPTA-C complexes using DFT with hybrid functional and basis set with ECP and without ECP. The higher stability of Carbo-RAPTA-C and Oxalo-RAPTA-C over RAPTA-C comes from the lower exchange repulsion and higher polarization contributions to their stability which gives insight into experimental observation. A similar study was carried out in subsection 3.3.2 on half-sandwich Ru(II)-based anticancer complexes with 6-toluene and 6-trifluorotoluene.Item Computational studies, synthesis and characterization of Ruthenium(ii) anticancer complexes.(University of Fort Hare, 2014) Adeniyi, Adebayo AzeezAs demand for water grows in South Africa, alternative sources are actively being sought to augment conventional water supply. While domestic rainwater harvesting has been put forward as one such an alternative water supply, little information is available on whether harvested rainwater is safe for human use or even how local communities feel about using the water from such an alternative source. The SU team tested the chemical and microbial quality of rainwater collected from the rainwater tanks of 29 houses over six months. In addition, 68 households were interviewed to investigate the acceptance and perception on the use of the domestic rainwater harvesting tanks. The results obtained for the chemical analysis indicated that the rainwater quality was within potable, chemical standards. Metals, cations and anions that were analysed for in the harvested rainwater samples were all below the recommended drinking water guidelines. However, the microbial analysis showed that the presence of the following group of indicator organisms exceeded the recommended drinking water guidelines: total coliforms, Eneterocci, faecal coliforms, and heterotrophic bacteria. The presence of several opportunistic pathogens, including E.coli, Cryptosporidium and Salmonella, were also detected. In short, the water from the rainwater harvesting tanks in Kleinmond is not fit for human consumption, and prior treatment is required before the water source can be used for drinking purposes. The main causes of contamination are dirt and faeces (from birds and small animals) on the roof surface, which fall into the tank. Other sources of rainwater contamination include leaf debris and organic material washed into the tank, animals or birds that fall into uncovered tanks as well as breeding mosquitoes. It was found that many of the households placed their garbage bags on top of the tanks to protect them from being ripped open by stray dogs. These garbage bags could easily contaminate the rainwater, especially if the tanks are leaking or broken and/or the lid is absent. This general lack of awareness of contamination hazards highlights the importance of training users in the proper use and maintenance of the technology. It has been recommended that some form of pre-treatment be installed to make the rainwater safe for drinking. As a follow up to this part of the project, the SU team is now investigating the use of solar water pasteurisation and filtration systems for the treatment of harvested rainwater. Interestingly, the SU user survey indicated that the majority of community members of the Kleinmond Housing Scheme instinctively steered clear of using the water from their rainwater harvesting tanks for drinking purposes. About two-thirds of the respondents do not use the water in the tank for drinking, while by far the majority of those who use it for drinking do so only sometimes (24%). The majority of respondents who do drink the water pre-treat it first. One mother reported that her baby developed a rash after rainwater was used to bath him, while others said that drinking the water was ‘bad for your stomach’. The majority of respondents indicated that they use the harvested rainwater for household chores instead, such as laundry, cleaning, and gardening. One respondent was even applying his rainwater to help run his small car wash business. This thesis is centred on the application of Ru-based complexes as a promising alternative to cis-platin in cancer chemotherapy. Cis-platin is known to be the most prescribed chemotherapy which has more than 70% application in cancer cases especially the testicular cancer. An insight is provided in Chapter One and Two into the literatures reports on the application of Ru(II)-based complexes in cancer chemotherapy. In order to address some of the pressing challenges in rational design of Ru-based anticancer complexes, section 3.3 and 3.4 deal with efforts to elucidate the complication of their chemistry and instability while in section 3.5 efforts are made to find solution to the lack of proper knowledge of their targets using different theoretical approaches as presented in Chapter Three. In addition to the theoretical study, this thesis also comprises of the synthesis of the bis-pyrazole derivatives type of ligands and the derivatives of their Ru(II)-based complexes as provided in Chapter Four and Five respectively. Also the computational methods were used to elucidate the structural and spectroscopic properties of the synthesised ligands and their Ru(II)-based complexes. The geometrical and electronic properties are studied in relation to the stability and the reported anticancer activities of Ru(II)-based complexes in section 3.3. In subsection 3.3.1, several quantum properties including the natural energy decomposition analysis (NEDA) and quantum theory of atoms in a molecule (QTAIM) are computed on three models of RAPTA-C complexes using DFT with hybrid functional and basis set with ECP and without ECP. The higher stability of Carbo-RAPTA-C and Oxalo-RAPTA-C over RAPTA-C comes from the lower exchange repulsion and higher polarization contributions to their stability which gives insight into experimental observation. A similar study was carried out in subsection 3.3.2 on half-sandwich Ru(II)-based anticancer complexes with 6-toluene and 6-trifluorotoluene. The trifluorotoluene and the hydrated models are characterised with higher charge transfer, polarizability, synergistic effect of ligand fragments, stronger and higher HB interactions that support their reported experimental anticancer activities and the mechanism of their activation by hydrolysis. Also in the subsection 3.3.3, the factors that determine the stability and the effects of non-covalent interaction on the two models of these half-sandwich 6-arene ruthenium anticancer complexes and their respective hydrated forms were investigated using DFT method. Lastly in section 3.3, the subsection 3.3.4 deals with the intramolecular properties of five sets of ruthenium based anticancer complexes using DFT method. The spectroscopic and the non-linear optical properties of selected Ru(II) anticancer complexes are shown in Section 3.4. In subsection 3.2.1, DFT method was applied to study the thermodynamic and spectroscopic properties of three Ru-based complexes in order to give possible reasons for the reported experimental stability of complexes 1 and 2 with bidentate chelating ligands than complex 3. A further study was carried out in Subsection 3.4.2 where computational method was used to gain insight into the correlation between the chemistry of the hydrolysis and the anticancer activities of selected Ru(II)-based complexes. Lastly in this section, subsection 3.2.3 deals with application of different density functional methods (DFT) to optimize and study the chemistry of five potential anticancer complexes in terms of their electronic, conductive and spectroscopic properties. The carboxylic and pyrazole units are found to significantly enhance the polarizabilities and hyperpolarizabilities of the complexes while the chloride only improves the polarity of the complexes. The possible targets of Ru(II)-based anticancer complexes are predicted using docking methods as presented in section 3.5 of this thesis. In subsection 3.5.1, the interactions of selected Ru(II)-based complexes with different cancer receptors are carried out using computational docking. The study focuses more on finding alternative protein targets other DNA for some Ru(II)-based complexes using computational docking. A further study on addressing the problem of the improper knowledge of of the targets of Ru-based anticancer complexes was carried out in subsection 3.5.2. Some promising anticancer complexes of Ru(II) such as RAPTA based complexes formulated as [Ru(η6-p-cymene)L2(pta)] and those with unusual ligands are docked against receptors using Autodock, Glide and Gold. Lastly in section 3.5, docking packages Molegro and Autodock were applied in subsection 3.5.3 to predict the anticancer activities of selected Ru(II) complexes against twelve anticancer targets. Introducing the quantum calculated atomic charges of the optimized geometries is found to significantly improve the docking predictions of these anticancer metallocompounds. In section 4.3-4.6, the spectroscopic and the geometric properties of ligands with pyrazole, methylpyrazole, bipyridine and phenanthroline derivatives were studied at both experimental and computational levels. The computational results are perfectly in agreement with the experimental results especially in terms of the spectroscopic properties. The spectroscopic analyses as well as the computed properties were used to establish the successful synthesis of the ligands. Many of the functional groups in these ligands are found to be Raman active which also help in their spectroscopic elucidation. Lastly in chapter five, the method used for the synthesis of forty Ru(II)-based complexes were presented with their experimental spectroscopic features being elucidated using theoretical methods. A very high correlation was observed between experimental and theoretical characterisation of the complexes which is an indication of successful synthesis of the complexes.Item Copper dithiocarbamate complexes and copper sulfide nanoparticles : synthesis, characterization and antifungal studies(University of Fort Hare, 2015) Botha, Nandipha LovenessSix dithiocarbamate ligands were synthesized from anisidine, aniline, ethyl aniline, butyl amine, morpholine and piperidine and used to synthesize homoleptic copper(II) dithiocarbamate complexes. The ligands and their corresponding complexes were characterized by conductivity measurement, FTIR and UV-Vis spectroscopy. The ligands were further characterized using NMR spectroscopy. The electronic spectra of the complexes showed that the coordination geometries around the Cu2+ ion is four coordinate square planar. FTIR spectroscopic studies indicated that the dithiocarbamate ligands are bidentately coordinated to the copper ion through the sulfur atoms with the C-S stretching frequencies changing from two peaks in the ligands to single sharp peaks in the corresponding metal complexes. The complexes were used as single source precursors to synthesize copper sulfide nanoparticles. All the six complexes were thermolysed at 180 oC to prepare copper sulfide nanoparticles and three of them were further thermolysed at 120 oC to study the effects of temperature on size and shape of the nanoparticles. All the nanoparticles were characterized with UV-Vis, PL, XRD, TEM, SEM and EDX. The optical properties of the as-prepared CuS nanoparticles showed that they are quantum confined with absorption band edges that are blue shifted compared to bulk CuS and all the as-prepared CuS nanoparticles showed narrow emission curves. The XRD diffraction patterns were indexed to the hexagonal covellite CuS crystalline phase with estimated particle sizes of 15.8-23.24 nm. These sizes are significantly different from the values, 3.02-98.94 nm obtained from TEM studies. The TEM images also showed nanoparticles with varied shapes with some agglomerations. SEM micrographs showed that the morphologies of the nanoparticles are mostly smooth surfaces and EDX spectra analyses confirmed the formation of the nanoparticles. Thermolysis of three of the complexes at 120 oC confirmed that temperature do affect the optical and structural properties of the CuS nanoparticles. Only three complexes soluble in DMSO were screened for their antimicrobial activity. Three complexes C1, C4 and C5 were screened against four fungi organisms, namely: Candida rugosa, Candida neoformans, Candida albicans and Trychophyton mucoides. All the compounds were promising as shown by the minimum inhibitory concentrations determined. C5 was the most active compound against all the organisms. They were also screened against four bacteria organisms and they were all active but not as they were against fungi organisms.Item Decolourization of synthetic dyes by laccase produced from Bacillus sp. NU2(Taylor and Francis, 2022-03-09) Edoamodu, Chiedu Epiphany; Nwodo, Uchechukwu U.Advanced industrialization has caused an increase in the continuous discharge of hazardous effluents in the environment. This study evaluated the potential of the laccase synthesized by Bacillus sp. NU2 to degrade five synthetic dyes. Sawdust, wheat bran and peels of banana and tangerine were utilized as carbon sources for bacterial growth and laccase production. The produced crude enzyme was purified to homogeneity to determine its molecular weight. The kinetic activity of the purified laccase was determined using 2,2′-azinobis-(3-ethylbenzothiaz oline-6-sulfonic acid) (ABTS). The toxicity of the laccase-treated dye solution was assessed on Bacillus sp. NU2 growth. The result showed optimum laccase yield from the tangerine peel medium. The purified laccase gave a specific activity of 349.94U mg−1 and a molecular weight of 55kDa, respectively. The purified laccase displayed a strong affinity for ABTS substrate with an enzyme activity of 31.21U mg−1. It was optimum at 60°C and pH 8, with catalytic efficiency (Kcat/Km) of 23.93mmol L−1. The decolourization effects on Congo Red, Methyl Orange, Remazol Brilliant Blue R, Reactive Blue 4 and Malachite Green were 87%, 70%, 65%, 63% and 51%, respectively. The toxicity assay of laccase degraded dyes on Bacillus sp. NU2 showed a growth reduction of 36.75% (Malachite Green), 12.57% (Congo Red), 17.19% (Methyl Orange), 38.41% (Remazol Brilliant Blue R) and 28.14% (Reactive Blue 4). The laccase produced by Bacillus sp. NU2 holds a high catalytic potential for the detoxification of dye effluents in an environmental system.Item Design and characterization of sodium alginate-based scaffolds for the treatment of burn wounds(University of Fort Hare, 2024) Ndlovu, Sindi Prescila; Aderibigbe, B.A.; Motaung, S.Burn injuries have a considerable impact on mortality and morbidity rates due to the systemic immune changes and increased infection risks that they cause. These factors hinder the healing process and allow microbial invasion, leading to prolonged hospital stays and increased mortality rates. In this study, sodium alginate-based membranes, topical gel, and nanofibers were prepared and evaluated as potential wound dressings that are affordable and effective for treating burn wounds, suggesting that they can also be accessible to low income individuals. The topical gels were prepared from sodium alginate (SA), Carbopol, Carboxymethyl cellulose (CMC), and polyethylene glycol (PEG). The gels were loaded with Capparis sepiaria extract to enhance their antibacterial efficacy. Membranes were designed from SA/Gum acacia/PVA/PF127 and loaded with Capparis sepiaria, and nanofibers were developed from SA/PVA/PLGA and loaded with Capparis sepiaria. The topical gels, membranes, and nanofibers were evaluated using Fourier transform infrared spectroscopy (FTIR), Scanning electron microscope (SEM), and X-ray diffraction (XRD), which confirmed the successful preparation of these three classes of wound dressings. The Water Vapor Transmission Rate (WVTR) values of the membranes and nanofibers were in a range of 1654.73 ± 0.74 and 319.24 ± 9.82 g/m2.24h, respectively, which is suitable for application on burn wounds, preventing moisture accumulation and reducing the risk of infection. The viscosity of the topical gels was in the range of 12 ± 0-7720 ± 152.83 and 20 ± 9.78-5256 ± 61.10 cP at 50 and 100 rPM, respectively, revealing a thixotropic/pseudoplastic behaviour, indicating that they can be easily applied on the wound bed. The membranes were biodegradable, with good swelling behaviour, showing their capability to absorb excess wound exudate. The membrane’s mechanical properties were studied, and their tensile strength was suitable for dermal application without causing discomfort upon removal from the wound bed. The topical gels, membranes, and nanofibers scaffolds displayed superior antibacterial efficacy against some gram-positive and gram-negative bacteria strains compared to the employed commercial wound dressing in this study that are responsible for the chronicity of burn wounds, such as Pseudomonas aeruginosa, Enterococcus faecalis, Mycobacterium smegmatis, Escherichia coli, Enterobacter cloacae, Proteus vulgaris, and Staphylococcus aureus. These three wound dressings showed a non-toxic effect on the immortalized human keratinocyte cells (HaCaT) cells, with a % cell viability of more than 85%. Furthermore, the wound dressings' capability to promote blood clotting was significant. The non-toxic nature of the wound dressings supported significant cell adhesion, migration, and proliferation than the commercial wound dressing used in the study. The three classes of SA-based wound dressings (i.e., topical gels, membranes, and nanofibers) displayed superior biological properties than commercial wound dressing, revealing their potential application as wound dressings on burn wounds.