Declines in Livestock Numbers Accompany Cropping Deagrarianisation Processes in the Eastern Cape, South Africa
- Shackleton, Charlie M, Ntshudu, Monde
- Authors: Shackleton, Charlie M , Ntshudu, Monde
- Date: 2023
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/402248 , vital:69834 , xlink:href="https://doi.org/10.3390/land12091735"
- Description: Deagrarianisation amongst smallholder farmers is a growing phenomenon globally, driven by a complex array of context-specific and higher-scale factors. Most research has focused on declines in arable cropping, with relatively little regard to the deagrarianisation dynamics associated with livestock ownership, yet the two are often linked through the need for draught power for ploughing. Here, we report on a survey of 293 rural households in 10 rural villages in the Eastern Cape province, South Africa, where we ascertained whether ownership of cattle, goats, sheep and pigs had changed over the previous 15 years and what were the underlying reasons for any changes at both village- and household-scale. The majority felt that there had been a decline in the number of households keeping livestock and the number of animals in the village. Additionally, a clear majority of owners for each type of livestock stated that their households currently have fewer animals than 15 years ago. The main reasons for declines were that their animals had died due to drought or disease, theft, or they had sold them because of financial needs. There was a positive association between the keeping of cattle and field cultivation. Despite these general declines, two-thirds of households currently without livestock wished that they had some, primarily for use in cultural ceremonies/rituals or for income. This study shows the deagrarianisation processes in the region also apply to the livestock sector despite the significance of livestock in the local Xhosa culture. This study highlights the multifaceted nature of deagrarianisation in communal tenure systems.
- Full Text:
- Date Issued: 2023
- Authors: Shackleton, Charlie M , Ntshudu, Monde
- Date: 2023
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/402248 , vital:69834 , xlink:href="https://doi.org/10.3390/land12091735"
- Description: Deagrarianisation amongst smallholder farmers is a growing phenomenon globally, driven by a complex array of context-specific and higher-scale factors. Most research has focused on declines in arable cropping, with relatively little regard to the deagrarianisation dynamics associated with livestock ownership, yet the two are often linked through the need for draught power for ploughing. Here, we report on a survey of 293 rural households in 10 rural villages in the Eastern Cape province, South Africa, where we ascertained whether ownership of cattle, goats, sheep and pigs had changed over the previous 15 years and what were the underlying reasons for any changes at both village- and household-scale. The majority felt that there had been a decline in the number of households keeping livestock and the number of animals in the village. Additionally, a clear majority of owners for each type of livestock stated that their households currently have fewer animals than 15 years ago. The main reasons for declines were that their animals had died due to drought or disease, theft, or they had sold them because of financial needs. There was a positive association between the keeping of cattle and field cultivation. Despite these general declines, two-thirds of households currently without livestock wished that they had some, primarily for use in cultural ceremonies/rituals or for income. This study shows the deagrarianisation processes in the region also apply to the livestock sector despite the significance of livestock in the local Xhosa culture. This study highlights the multifaceted nature of deagrarianisation in communal tenure systems.
- Full Text:
- Date Issued: 2023
In silico substrate-binding profiling for SARS-CoV-2 Main protease (Mpro) using Hexapeptide substrates
- Zabo, Sophakama, Lobb, Kevin A
- Authors: Zabo, Sophakama , Lobb, Kevin A
- Date: 2023
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/452711 , vital:75164 , xlink:href="https://doi.org/10.3390/v15071480"
- Description: The SARS-CoV-2 main protease (Mpro) is essential for the life cycle of the COVID-19 virus. It cleaves the two polyproteins at 11 positions to generate mature proteins for virion formation. The cleavage site on these polyproteins is known to be Leu-Gln↓(Ser/Ala/Gly). A range of hexapeptides that follow the known sequence for recognition and cleavage was constructed using RDKit libraries and complexed with the crystal structure of Mpro (PDB ID 6XHM) through extensive molecular docking calculations. A subset of 131 of these complexes underwent 20 ns molecular dynamics simulations. The analyses of the trajectories from molecular dynamics included principal component analysis (PCA), and a method to compare PCA plots from separate trajectories was developed in terms of encoding PCA progression during the simulations. The hexapeptides formed stable complexes as expected, with reproducible molecular docking of the substrates given the extensiveness of the procedure. Only Lys-Leu-Gln*** (KLQ***) sequence complexes were studied for molecular dynamics. In this subset of complexes, the PCA analysis identified four classifications of protein motions across these sequences. KLQ*** complexes illustrated the effect of changes in substrate on the active site, with implications for understanding the substrate recognition of Mpro and informing the development of small molecule inhibitors.
- Full Text:
- Date Issued: 2023
- Authors: Zabo, Sophakama , Lobb, Kevin A
- Date: 2023
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/452711 , vital:75164 , xlink:href="https://doi.org/10.3390/v15071480"
- Description: The SARS-CoV-2 main protease (Mpro) is essential for the life cycle of the COVID-19 virus. It cleaves the two polyproteins at 11 positions to generate mature proteins for virion formation. The cleavage site on these polyproteins is known to be Leu-Gln↓(Ser/Ala/Gly). A range of hexapeptides that follow the known sequence for recognition and cleavage was constructed using RDKit libraries and complexed with the crystal structure of Mpro (PDB ID 6XHM) through extensive molecular docking calculations. A subset of 131 of these complexes underwent 20 ns molecular dynamics simulations. The analyses of the trajectories from molecular dynamics included principal component analysis (PCA), and a method to compare PCA plots from separate trajectories was developed in terms of encoding PCA progression during the simulations. The hexapeptides formed stable complexes as expected, with reproducible molecular docking of the substrates given the extensiveness of the procedure. Only Lys-Leu-Gln*** (KLQ***) sequence complexes were studied for molecular dynamics. In this subset of complexes, the PCA analysis identified four classifications of protein motions across these sequences. KLQ*** complexes illustrated the effect of changes in substrate on the active site, with implications for understanding the substrate recognition of Mpro and informing the development of small molecule inhibitors.
- Full Text:
- Date Issued: 2023
Socio-Economic and Environmental Challenges of Small-Scale Fisheries: Prognosis for Sustainable Fisheries Management in Lake Kariba, Zambia
- Imbwae, Imikendu, Aswani, Shankar, Sauer, Warwick H H
- Authors: Imbwae, Imikendu , Aswani, Shankar , Sauer, Warwick H H
- Date: 2023
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/391422 , vital:68650 , xlink:href="https://doi.org/10.3390/su15043179"
- Description: The Lake Kariba fishery is of regional importance; it accounts for 35% of the total Zambian fish production. However, emerging evidence in the recent decades suggests that the fishery is facing socio-economic and environmental challenges. Using Ostrom’s framework for analysing socio-ecological systems, we examined the social, economic, and environmental problems faced by the fishing communities in Lake Kariba. The framework links various social, economic, and ecological factors to devise a sustainable fisheries management plan. A combination of survey questionnaires, focus group discussions, observations, and key informant interviews were used to assess this sustainability challenge. The data collected were subjected to bivariate and descriptive analysis. The results obtained did not show a significant decline in fish production over the past 13 years (R2 Linear = 0.119, p = 0.248). However, the experts and the fishers have reported declining trends in valuable fish species such as Oreochromis mortimeri, compounded by the increased fishing efforts (X2 = 180.14, p value = ˂ 0.00001). The key threats identified include: overfishing, weak institutions, and the introduction of invasive fish species such as Oreochromis niloticus. This situation has raised fears of fish depletion among the stakeholders. Based on these results, we recommend stronger institutional collaboration among the stakeholders in the riparian states and education that illustrates the global value of fisheries for food security and biodiversity conservation in pursuing the United Nations Sustainable Development Goals.
- Full Text:
- Date Issued: 2023
- Authors: Imbwae, Imikendu , Aswani, Shankar , Sauer, Warwick H H
- Date: 2023
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/391422 , vital:68650 , xlink:href="https://doi.org/10.3390/su15043179"
- Description: The Lake Kariba fishery is of regional importance; it accounts for 35% of the total Zambian fish production. However, emerging evidence in the recent decades suggests that the fishery is facing socio-economic and environmental challenges. Using Ostrom’s framework for analysing socio-ecological systems, we examined the social, economic, and environmental problems faced by the fishing communities in Lake Kariba. The framework links various social, economic, and ecological factors to devise a sustainable fisheries management plan. A combination of survey questionnaires, focus group discussions, observations, and key informant interviews were used to assess this sustainability challenge. The data collected were subjected to bivariate and descriptive analysis. The results obtained did not show a significant decline in fish production over the past 13 years (R2 Linear = 0.119, p = 0.248). However, the experts and the fishers have reported declining trends in valuable fish species such as Oreochromis mortimeri, compounded by the increased fishing efforts (X2 = 180.14, p value = ˂ 0.00001). The key threats identified include: overfishing, weak institutions, and the introduction of invasive fish species such as Oreochromis niloticus. This situation has raised fears of fish depletion among the stakeholders. Based on these results, we recommend stronger institutional collaboration among the stakeholders in the riparian states and education that illustrates the global value of fisheries for food security and biodiversity conservation in pursuing the United Nations Sustainable Development Goals.
- Full Text:
- Date Issued: 2023
Transboundary Fisheries Management in Kavango–Zambezi Transfrontier Conservation Area (KAZA-TFCA): Prospects and Dilemmas
- Imbwae, Imikendu, Aswani, Shankar, Sauer, Warwick H H, Hay, Clinton J
- Authors: Imbwae, Imikendu , Aswani, Shankar , Sauer, Warwick H H , Hay, Clinton J
- Date: 2023
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/391433 , vital:68651 , xlink:href="https://doi.org/10.3390/su15054406"
- Description: Inland fisheries in the Kavango–Zambezi Transfrontier Conservation Area (KAZA-TFCA) offer food security to the riverine communities across the region. They also contribute towards the attainment of the United Nations’ Sustainable Development Goals 1 and 15, which aim to alleviate poverty and maintain biodiversity conservation. Despite this significant role, the fisheries have suffered severe declines in the previous decades due to multiple factors, such as overfishing and poor legislation. Furthermore, climate change is exerting pressure by altering the ecology and productivity of the river systems. The unprecedented challenges of the COVID-19 pandemic have further constrained management efforts. Attempts to address these challenges have pointed towards transboundary fisheries management as a silver bullet in moving towards sustainable fisheries management. However, the implementation of this strategy in the region has encountered numerous roadblocks, thereby subjecting the river ecosystem to a wider environmental threat, with dire consequences on livelihoods. This paper reviews existing management and governance structures together with key informant interviews to elicit primary and secondary data essential for management at the regional level. The study identifies conflicting regulations, and inadequate policies and institutions across the region as major bottlenecks affecting the successful implementation of transboundary fisheries management. Finally, the paper offers some suggestions for the improvement of fisheries management in the region.
- Full Text:
- Date Issued: 2023
- Authors: Imbwae, Imikendu , Aswani, Shankar , Sauer, Warwick H H , Hay, Clinton J
- Date: 2023
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/391433 , vital:68651 , xlink:href="https://doi.org/10.3390/su15054406"
- Description: Inland fisheries in the Kavango–Zambezi Transfrontier Conservation Area (KAZA-TFCA) offer food security to the riverine communities across the region. They also contribute towards the attainment of the United Nations’ Sustainable Development Goals 1 and 15, which aim to alleviate poverty and maintain biodiversity conservation. Despite this significant role, the fisheries have suffered severe declines in the previous decades due to multiple factors, such as overfishing and poor legislation. Furthermore, climate change is exerting pressure by altering the ecology and productivity of the river systems. The unprecedented challenges of the COVID-19 pandemic have further constrained management efforts. Attempts to address these challenges have pointed towards transboundary fisheries management as a silver bullet in moving towards sustainable fisheries management. However, the implementation of this strategy in the region has encountered numerous roadblocks, thereby subjecting the river ecosystem to a wider environmental threat, with dire consequences on livelihoods. This paper reviews existing management and governance structures together with key informant interviews to elicit primary and secondary data essential for management at the regional level. The study identifies conflicting regulations, and inadequate policies and institutions across the region as major bottlenecks affecting the successful implementation of transboundary fisheries management. Finally, the paper offers some suggestions for the improvement of fisheries management in the region.
- Full Text:
- Date Issued: 2023
Developing Relationships for Community-Based Research at Rhodes University: Values, Principles and Challenges
- Rouillard, Tessa, Deponselle, Keagan, Bezerra, Joana C
- Authors: Rouillard, Tessa , Deponselle, Keagan , Bezerra, Joana C
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/426430 , vital:72352 , xlink:href="https://doi.org/10.3390/su142315525"
- Description: In addition to providing benefits to people, protected areas are valued in ways that go beyond the tangible. A sense of place, and the collection of values, feelings, and meanings associated with a place, can illuminate people-place relationships. Understanding how people relate to a place is essential in acquiring support for protected areas. This research investigates tourists’ and residents’ sense of place in Knysna, an open-access section of the Garden Route National Park, South Africa. Data was collected through questionnaires and semi-structured interviews. The sense of place was characterised using five variables: physical, cultural, social, dependent, and ideological. Although ‘physical’ was the dominant variable for both tourists and residents, the ‘ideological’ for residents and the ‘cultural’ for tourists came second, highlighting the importance of safe places and recreational activities, respectively. The physical environment influences sense of place, and the importance of protected areas to stakeholders offers an opportunity for management to engage with the public.
- Full Text:
- Date Issued: 2022
- Authors: Rouillard, Tessa , Deponselle, Keagan , Bezerra, Joana C
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/426430 , vital:72352 , xlink:href="https://doi.org/10.3390/su142315525"
- Description: In addition to providing benefits to people, protected areas are valued in ways that go beyond the tangible. A sense of place, and the collection of values, feelings, and meanings associated with a place, can illuminate people-place relationships. Understanding how people relate to a place is essential in acquiring support for protected areas. This research investigates tourists’ and residents’ sense of place in Knysna, an open-access section of the Garden Route National Park, South Africa. Data was collected through questionnaires and semi-structured interviews. The sense of place was characterised using five variables: physical, cultural, social, dependent, and ideological. Although ‘physical’ was the dominant variable for both tourists and residents, the ‘ideological’ for residents and the ‘cultural’ for tourists came second, highlighting the importance of safe places and recreational activities, respectively. The physical environment influences sense of place, and the importance of protected areas to stakeholders offers an opportunity for management to engage with the public.
- Full Text:
- Date Issued: 2022
Enhanced Solar Efficiency via Incorporation of Plasmonic Gold Nanostructures in a Titanium Oxide/Eosin Y Dye-Sensitized Solar Cell
- Nyembe, Sanele, Chindeka, Francis, Ndlovu, Gebhu, Mkhohlakali, Andile, Nyokong, Tebello, Sikhwiyhilu, Lucy
- Authors: Nyembe, Sanele , Chindeka, Francis , Ndlovu, Gebhu , Mkhohlakali, Andile , Nyokong, Tebello , Sikhwiyhilu, Lucy
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/295783 , vital:57377 , xlink:href="https://doi.org/10.3390/nano12101715"
- Description: Plasmonic gold nanoparticles significantly improved the efficiency of a TiO2 and Eosin Y based dye-sensitized solar cell from 2.4 to 6.43%. The gold nanoparticles’ sizes that were tested were 14 nm, 30 nm and 40 nm synthesized via the systematic reduction of citrate concentration using the Turkevich method. Prestine TiO2 without plasmonic gold nanoparticles yielded an efficiency of 2.4%. However, the loading of 40 nm gold nanoparticles into the TiO2 matrix yielded the highest DSSC efficiency of 6.43% compared to 30 nm (5.91%) and 14 nm (2.6%). The relatively high efficiency demonstrated by plasmonic gold nanoparticles is ascribed to light absorption/scattering, hot electron injection and plasmon-induced resonance energy transfer (PIRET), influenced by the size of the gold nanoparticles.
- Full Text:
- Date Issued: 2022
- Authors: Nyembe, Sanele , Chindeka, Francis , Ndlovu, Gebhu , Mkhohlakali, Andile , Nyokong, Tebello , Sikhwiyhilu, Lucy
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/295783 , vital:57377 , xlink:href="https://doi.org/10.3390/nano12101715"
- Description: Plasmonic gold nanoparticles significantly improved the efficiency of a TiO2 and Eosin Y based dye-sensitized solar cell from 2.4 to 6.43%. The gold nanoparticles’ sizes that were tested were 14 nm, 30 nm and 40 nm synthesized via the systematic reduction of citrate concentration using the Turkevich method. Prestine TiO2 without plasmonic gold nanoparticles yielded an efficiency of 2.4%. However, the loading of 40 nm gold nanoparticles into the TiO2 matrix yielded the highest DSSC efficiency of 6.43% compared to 30 nm (5.91%) and 14 nm (2.6%). The relatively high efficiency demonstrated by plasmonic gold nanoparticles is ascribed to light absorption/scattering, hot electron injection and plasmon-induced resonance energy transfer (PIRET), influenced by the size of the gold nanoparticles.
- Full Text:
- Date Issued: 2022
Fuelwood in South Africa Revisited: Widespread Use in a Policy Vacuum
- Shackleton, Charlie M, Sinasson, Gisele, Adeyemi, Opeyemi, Martins, Vusumzi
- Authors: Shackleton, Charlie M , Sinasson, Gisele , Adeyemi, Opeyemi , Martins, Vusumzi
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/402275 , vital:69837 , xlink:href="https://doi.org/10.3390/su141711018"
- Description: South Africa has experienced massive urbanisation and socioeconomic development over the past two decades. Concomitantly, the national energy policy focuses on the provision of modern fuels, notably electricity, for domestic use. Given this policy environment and socioeconomic development, we examine pertinent literature and policies from South Africa on fuelwood use, value, and sustainability to understand how it might have changed in tandem with the national shifts in urbanisation and socioeconomic development over the last 20 years. Recent literature shows that fuelwood is still used to some extent by 96% of rural households and 69% of low-income urban ones. We also estimate that the use of fuelwood by rural households alone is valued at approximately ZAR 10.5 billion (approx. USD 700 million) annually, with the probability of an equally high value to low-income urban households. However, despite the extensive use and high value, our analysis of cognate national policies related to energy, forestry, environment, and social development, show that fuelwood and its use is hardly considered, indicating a policy vacuum. This policy vacuum means that there is no strategic or apposite support or interventions in any localised areas where fuelwood demand might exceed supply, thereby undermining the livelihoods and energy security of affected citizens, most notably the poor.
- Full Text:
- Date Issued: 2022
- Authors: Shackleton, Charlie M , Sinasson, Gisele , Adeyemi, Opeyemi , Martins, Vusumzi
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/402275 , vital:69837 , xlink:href="https://doi.org/10.3390/su141711018"
- Description: South Africa has experienced massive urbanisation and socioeconomic development over the past two decades. Concomitantly, the national energy policy focuses on the provision of modern fuels, notably electricity, for domestic use. Given this policy environment and socioeconomic development, we examine pertinent literature and policies from South Africa on fuelwood use, value, and sustainability to understand how it might have changed in tandem with the national shifts in urbanisation and socioeconomic development over the last 20 years. Recent literature shows that fuelwood is still used to some extent by 96% of rural households and 69% of low-income urban ones. We also estimate that the use of fuelwood by rural households alone is valued at approximately ZAR 10.5 billion (approx. USD 700 million) annually, with the probability of an equally high value to low-income urban households. However, despite the extensive use and high value, our analysis of cognate national policies related to energy, forestry, environment, and social development, show that fuelwood and its use is hardly considered, indicating a policy vacuum. This policy vacuum means that there is no strategic or apposite support or interventions in any localised areas where fuelwood demand might exceed supply, thereby undermining the livelihoods and energy security of affected citizens, most notably the poor.
- Full Text:
- Date Issued: 2022
Fuelwood Production and Carbon Sequestration in Public Urban Green Spaces in Bulawayo, Zimbabwe
- Ngulani, Thembelihle, Shackleton, Charlie M
- Authors: Ngulani, Thembelihle , Shackleton, Charlie M
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/438757 , vital:73497 , xlink:href="https://doi.org/10.3390/f13050741"
- Description: Understanding tree species autecology and population structure supports effective conservation actions. Of particular importance are multipurpose trees that provide non-timber forest products (NTFPs). We assessed the population structures and morphologies of two species of NTFP trees in the genus Mimusops across bioclimatic zones in Benin by sampling 288 plots within 11 forests. Structural characteristics were compared between species, forests and zones. Correlations were also observed between Mimusops tree regeneration density, tree features and ecological characteristics. The density of trees ≥5 cm and of regeneration and mean tree height were higher for M. andongensis (within more protected forest) than M. kummel (in forests with access to people), while the highest mean diameter was observed for M. kummel. Tree and regeneration densities and mean height were greatest in the humid zone of Benin, whilst the largest mean diameter was obtained in the sub-humid zone. The results showed significant correlations between regeneration density and soil properties for M. andongensis but not for M. kummel. The correlations between tree morphology and soil characteristics were weak for both species. Ecological characteristics, along with the species’ functional traits and pressures, are important factors related to the observed differences between the species. All diameter classes were represented, and the population seemed more stable in the more protected forest relative to other forests. Mimusops trees with a diameter of 5–15 cm represented more than 30% of this species in most forests; this suggests, for M. kummel, whose trees flower when quite small (≥6 cm dbh), that there are sufficient reproductive trees. Thus, as a long-lived species, its populations could be maintained even with low/episodic recruitment. However, we found no regeneration in many forests and climate change could threaten populations. Therefore, it is important to investigate regeneration growth and dynamics, seed production and germination of the species in relation to the biophysical conditions and disturbances experienced by Mimusops stands.
- Full Text:
- Date Issued: 2022
- Authors: Ngulani, Thembelihle , Shackleton, Charlie M
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/438757 , vital:73497 , xlink:href="https://doi.org/10.3390/f13050741"
- Description: Understanding tree species autecology and population structure supports effective conservation actions. Of particular importance are multipurpose trees that provide non-timber forest products (NTFPs). We assessed the population structures and morphologies of two species of NTFP trees in the genus Mimusops across bioclimatic zones in Benin by sampling 288 plots within 11 forests. Structural characteristics were compared between species, forests and zones. Correlations were also observed between Mimusops tree regeneration density, tree features and ecological characteristics. The density of trees ≥5 cm and of regeneration and mean tree height were higher for M. andongensis (within more protected forest) than M. kummel (in forests with access to people), while the highest mean diameter was observed for M. kummel. Tree and regeneration densities and mean height were greatest in the humid zone of Benin, whilst the largest mean diameter was obtained in the sub-humid zone. The results showed significant correlations between regeneration density and soil properties for M. andongensis but not for M. kummel. The correlations between tree morphology and soil characteristics were weak for both species. Ecological characteristics, along with the species’ functional traits and pressures, are important factors related to the observed differences between the species. All diameter classes were represented, and the population seemed more stable in the more protected forest relative to other forests. Mimusops trees with a diameter of 5–15 cm represented more than 30% of this species in most forests; this suggests, for M. kummel, whose trees flower when quite small (≥6 cm dbh), that there are sufficient reproductive trees. Thus, as a long-lived species, its populations could be maintained even with low/episodic recruitment. However, we found no regeneration in many forests and climate change could threaten populations. Therefore, it is important to investigate regeneration growth and dynamics, seed production and germination of the species in relation to the biophysical conditions and disturbances experienced by Mimusops stands.
- Full Text:
- Date Issued: 2022
Insights into the Dynamics and Binding of Two Polyprotein Substrate Cleavage Points in the Context of the SARS-CoV-2 Main and Papain-like Proteases
- Sanusi, Zainab K, Lobb, Kevin A
- Authors: Sanusi, Zainab K , Lobb, Kevin A
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/452773 , vital:75169 , xlink:href="https://doi.org/10.3390/molecules27238251"
- Description: It is well known that vital enzymes in the replication process of the coronavirus are the SARS-CoV-2 PLpro and SARS-CoV-2 3CLpro, both of which are important targets in the search for anti-coronavirus agents. These two enzymes are responsible for cleavage at various polyprotein sites in the SARS-CoV-2 lifecycle. Herein, the dynamics of the polyprotein cleavage sequences for the boundary between non-structural proteins Nsp1 and Nsp2 (CS1) and between Nsp2 and Nsp3 (CS2) in complex with both the papain-like protein PLpro and the main protease 3CLpro were explored using computational methods. The post dynamics analysis reveals that CS1 and CS2 both have greater stability when complexed with PLpro. Of these two, greater stability is observed for the CS1–PLpro complex, while destabilization resulting in loss of CS2 from the PLpro active site is observed for CS2-PLpro, suggesting the rate of exchange by the papain-like protease is faster for CS2 compared to CS1. On the other hand, the 3CLpro main protease also reveals stability for CS1 suggesting that the main protease could also play a potential role in the cleavage at point CS1. However, destabilization occurs early in the simulation for the complex CLpro–CS2 suggesting a poor interaction and non-plausible protease cleavage of the polyprotein at CS2 by the main protease. These findings could be used as a guide in the development and design of potent COVID-19 antiviral inhibitors that mimic the CS1 cleavage site.
- Full Text:
- Date Issued: 2022
- Authors: Sanusi, Zainab K , Lobb, Kevin A
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/452773 , vital:75169 , xlink:href="https://doi.org/10.3390/molecules27238251"
- Description: It is well known that vital enzymes in the replication process of the coronavirus are the SARS-CoV-2 PLpro and SARS-CoV-2 3CLpro, both of which are important targets in the search for anti-coronavirus agents. These two enzymes are responsible for cleavage at various polyprotein sites in the SARS-CoV-2 lifecycle. Herein, the dynamics of the polyprotein cleavage sequences for the boundary between non-structural proteins Nsp1 and Nsp2 (CS1) and between Nsp2 and Nsp3 (CS2) in complex with both the papain-like protein PLpro and the main protease 3CLpro were explored using computational methods. The post dynamics analysis reveals that CS1 and CS2 both have greater stability when complexed with PLpro. Of these two, greater stability is observed for the CS1–PLpro complex, while destabilization resulting in loss of CS2 from the PLpro active site is observed for CS2-PLpro, suggesting the rate of exchange by the papain-like protease is faster for CS2 compared to CS1. On the other hand, the 3CLpro main protease also reveals stability for CS1 suggesting that the main protease could also play a potential role in the cleavage at point CS1. However, destabilization occurs early in the simulation for the complex CLpro–CS2 suggesting a poor interaction and non-plausible protease cleavage of the polyprotein at CS2 by the main protease. These findings could be used as a guide in the development and design of potent COVID-19 antiviral inhibitors that mimic the CS1 cleavage site.
- Full Text:
- Date Issued: 2022
Low-Symmetry Phthalocyanines Bearing Carboxy-Groups
- Bunin, Dmitry A, Ndebele, Nobuhle, Martynov, Alexander G, Mack, John, Gorbunova, Yulia G, Nyokong, Tebello
- Authors: Bunin, Dmitry A , Ndebele, Nobuhle , Martynov, Alexander G , Mack, John , Gorbunova, Yulia G , Nyokong, Tebello
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/231262 , vital:49870 , xlink:href="https://doi.org/10.3390/molecules27020524" "
- Description: The synthesis and characterization of A3B-type phthalocyanines, ZnPc1–4, bearing bulky 2,6-diisopropylphenoxy-groups or chlorine atoms on isoindoline units “A” and either one or two carboxylic anchors on isoindoline unit “B” are reported. A comparison of molecular modelling with the conventional time dependent—density functional theory (TD-DFT) approach and its simplified sTD-DFT approximation provides further evidence that the latter method accurately reproduces the key trends in the spectral properties, providing colossal savings in computer time for quite large molecules. This demonstrates that it is a valuable tool for guiding the rational design of new phthalocyanines for practical applications.
- Full Text:
- Date Issued: 2022
- Authors: Bunin, Dmitry A , Ndebele, Nobuhle , Martynov, Alexander G , Mack, John , Gorbunova, Yulia G , Nyokong, Tebello
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/231262 , vital:49870 , xlink:href="https://doi.org/10.3390/molecules27020524" "
- Description: The synthesis and characterization of A3B-type phthalocyanines, ZnPc1–4, bearing bulky 2,6-diisopropylphenoxy-groups or chlorine atoms on isoindoline units “A” and either one or two carboxylic anchors on isoindoline unit “B” are reported. A comparison of molecular modelling with the conventional time dependent—density functional theory (TD-DFT) approach and its simplified sTD-DFT approximation provides further evidence that the latter method accurately reproduces the key trends in the spectral properties, providing colossal savings in computer time for quite large molecules. This demonstrates that it is a valuable tool for guiding the rational design of new phthalocyanines for practical applications.
- Full Text:
- Date Issued: 2022
Review of Importance of Weather and Environmental Variables in Agent-Based Arbovirus Models
- Pascoe, Luba, Clemen, Thomas, Bradshaw, Karen L, Nyambo, Devotha G
- Authors: Pascoe, Luba , Clemen, Thomas , Bradshaw, Karen L , Nyambo, Devotha G
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/440300 , vital:73764 , xlink:href="https://doi.org/10.3390/ijerph192315578"
- Description: The study sought to review the works of literature on agent-based modeling and the influence of climatic and environmental factors on disease outbreak, transmission, and surveillance. Thus, drawing the influence of environmental variables such as vegetation index, households, mosquito habitats, breeding sites, and climatic variables including precipitation or rainfall, temperature, wind speed, and relative humidity on dengue disease modeling using the agent-based model in an African context and globally was the aim of the study. A search strategy was developed and used to search for relevant articles from four databases, namely, PubMed, Scopus, Research4Life, and Google Scholar. Inclusion criteria were developed, and 20 articles met the criteria and have been included in the review. From the reviewed works of literature, the study observed that climatic and environmental factors may influence the arbovirus disease outbreak, transmission, and surveillance. Thus, there is a call for further research on the area. To benefit from arbovirus modeling, it is crucial to consider the influence of climatic and environmental factors, especially in Africa, where there are limited studies exploring this phenomenon.
- Full Text:
- Date Issued: 2022
- Authors: Pascoe, Luba , Clemen, Thomas , Bradshaw, Karen L , Nyambo, Devotha G
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/440300 , vital:73764 , xlink:href="https://doi.org/10.3390/ijerph192315578"
- Description: The study sought to review the works of literature on agent-based modeling and the influence of climatic and environmental factors on disease outbreak, transmission, and surveillance. Thus, drawing the influence of environmental variables such as vegetation index, households, mosquito habitats, breeding sites, and climatic variables including precipitation or rainfall, temperature, wind speed, and relative humidity on dengue disease modeling using the agent-based model in an African context and globally was the aim of the study. A search strategy was developed and used to search for relevant articles from four databases, namely, PubMed, Scopus, Research4Life, and Google Scholar. Inclusion criteria were developed, and 20 articles met the criteria and have been included in the review. From the reviewed works of literature, the study observed that climatic and environmental factors may influence the arbovirus disease outbreak, transmission, and surveillance. Thus, there is a call for further research on the area. To benefit from arbovirus modeling, it is crucial to consider the influence of climatic and environmental factors, especially in Africa, where there are limited studies exploring this phenomenon.
- Full Text:
- Date Issued: 2022
Whose Sense of Place? Catering for Residents and Tourists from an Open-Access Protected Area in South Africa
- Rouillard, Tessa, Deponselle, Keagan, Bezerra, Joana C
- Authors: Rouillard, Tessa , Deponselle, Keagan , Bezerra, Joana C
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/426584 , vital:72366 , xlink:href="https://doi.org/10.3390/su142315525"
- Description: In addition to providing benefits to people, protected areas are valued in ways that go beyond the tangible. A sense of place, and the collection of values, feelings, and meanings associated with a place, can illuminate people-place relationships. Understanding how people relate to a place is essential in acquiring support for protected areas. This research investigates tourists’ and residents’ sense of place in Knysna, an open-access section of the Garden Route National Park, South Africa. Data was collected through questionnaires and semi-structured interviews. The sense of place was characterised using five variables: physical, cultural, social, dependent, and ideological. Although ‘physical’ was the dominant variable for both tourists and residents, the ‘ideological’ for residents and the ‘cultural’ for tourists came second, highlighting the importance of safe places and recreational activities, respectively. The physical environment influences sense of place, and the importance of protected areas to stakeholders offers an opportunity for management to engage with the public.
- Full Text:
- Date Issued: 2022
- Authors: Rouillard, Tessa , Deponselle, Keagan , Bezerra, Joana C
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/426584 , vital:72366 , xlink:href="https://doi.org/10.3390/su142315525"
- Description: In addition to providing benefits to people, protected areas are valued in ways that go beyond the tangible. A sense of place, and the collection of values, feelings, and meanings associated with a place, can illuminate people-place relationships. Understanding how people relate to a place is essential in acquiring support for protected areas. This research investigates tourists’ and residents’ sense of place in Knysna, an open-access section of the Garden Route National Park, South Africa. Data was collected through questionnaires and semi-structured interviews. The sense of place was characterised using five variables: physical, cultural, social, dependent, and ideological. Although ‘physical’ was the dominant variable for both tourists and residents, the ‘ideological’ for residents and the ‘cultural’ for tourists came second, highlighting the importance of safe places and recreational activities, respectively. The physical environment influences sense of place, and the importance of protected areas to stakeholders offers an opportunity for management to engage with the public.
- Full Text:
- Date Issued: 2022
Chemical Profiling, Toxicity and Anti-Inflammatory Activities of Essential Oils from Three Grapefruit Cultivars from KwaZulu-Natal in South Africa
- Miya, Gugulethu, Oyedeji, Opeoluwa, Gondwe, Mavuto, Oyedeji, Adebola
- Authors: Miya, Gugulethu , Oyedeji, Opeoluwa , Gondwe, Mavuto , Oyedeji, Adebola
- Date: 2021-6
- Subjects: South Africa Citrus paradisi grapefruit essential oil toxicity anti-inflammatory Article
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/11260/6479 , vital:46408 , ("https://DOI:10.3390/molecules26113387")
- Description: Introduction: This case report discusses the successful use of an improvised bubble continuous positive airway pressure (CPAP) apparatus made using items commonly available in a poorly resourced district hospital. Case presentation: A 64-year-old female with no co-morbidities presented with respiratory failure due to pulmonary tuberculosis and was not accepted into the regional Intensive Care Unit (ICU) on referral. She required 8 days of improvised bubble CPAP to maintain adequate oxygen saturation before weaning and eventual discharge. Discussion: Improvised bubble CPAP is commonly used in neonatal care in developing countries and well described in literature however, there are no reports of its successful use in adult patients. In the absence of access to ICU or other Non-invasive ventilation (NIV) equipment, improvised bubble CPAP may provide some therapeutic benefit.
- Full Text:
- Date Issued: 2021-6
- Authors: Miya, Gugulethu , Oyedeji, Opeoluwa , Gondwe, Mavuto , Oyedeji, Adebola
- Date: 2021-6
- Subjects: South Africa Citrus paradisi grapefruit essential oil toxicity anti-inflammatory Article
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/11260/6479 , vital:46408 , ("https://DOI:10.3390/molecules26113387")
- Description: Introduction: This case report discusses the successful use of an improvised bubble continuous positive airway pressure (CPAP) apparatus made using items commonly available in a poorly resourced district hospital. Case presentation: A 64-year-old female with no co-morbidities presented with respiratory failure due to pulmonary tuberculosis and was not accepted into the regional Intensive Care Unit (ICU) on referral. She required 8 days of improvised bubble CPAP to maintain adequate oxygen saturation before weaning and eventual discharge. Discussion: Improvised bubble CPAP is commonly used in neonatal care in developing countries and well described in literature however, there are no reports of its successful use in adult patients. In the absence of access to ICU or other Non-invasive ventilation (NIV) equipment, improvised bubble CPAP may provide some therapeutic benefit.
- Full Text:
- Date Issued: 2021-6
Eastern Cape Healthcare Workers Acquisition of SARS-CoV-2 (ECHAS): Cross-Sectional (Nested Cohort) Study Protocol
- Oladele Vincent Adeniyi, David Stead, Mandisa Singata-Madliki 4, Joanne Batting, Leo Hyera, Eloise Jelliman, Shareef Abrahams, Andrew Parrish
- Authors: Oladele Vincent Adeniyi , David Stead , Mandisa Singata-Madliki 4 , Joanne Batting , Leo Hyera , Eloise Jelliman , Shareef Abrahams , Andrew Parrish
- Date: 2021
- Language: English
- Type: Journal article
- Identifier: http://hdl.handle.net/11260/3972 , vital:43978
- Full Text:
- Authors: Oladele Vincent Adeniyi , David Stead , Mandisa Singata-Madliki 4 , Joanne Batting , Leo Hyera , Eloise Jelliman , Shareef Abrahams , Andrew Parrish
- Date: 2021
- Language: English
- Type: Journal article
- Identifier: http://hdl.handle.net/11260/3972 , vital:43978
- Full Text:
Enhancement of Biological and Pharmacological Properties of an Encapsulated Polyphenol: Curcumin
- Witika, Bwalya A, Makoni, Pedzisai A, Matafwali, Scott K, Mweetwa, Larry L, Shandele, Ginnethon C, Walker, Roderick B
- Authors: Witika, Bwalya A , Makoni, Pedzisai A , Matafwali, Scott K , Mweetwa, Larry L , Shandele, Ginnethon C , Walker, Roderick B
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/183161 , vital:43917 , xlink:href="https://doi.org/10.3390/molecules26144244"
- Description: There is a dearth of natural remedies available for the treatment of an increasing number of diseases facing mankind. Natural products may provide an opportunity to produce formulations and therapeutic solutions to address this shortage. Curcumin (CUR), diferuloylmethane; I,7-bis-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione is the major pigment in turmeric powder which has been reported to exhibit a number of health benefits including, antibacterial, antiviral, anti-cancer, anti-inflammatory and anti-oxidant properties. In this review, the authors attempt to highlight the biological and pharmacological properties of CUR in addition to emphasizing aspects relating to the biosynthesis, encapsulation and therapeutic effects of the compound. The information contained in this review was generated by considering published information in which evidence of enhanced biological and pharmacological properties of nano-encapsulated CUR was reported. CUR has contributed to a significant improvement in melanoma, breast, lung, gastro-intestinal, and genito-urinary cancer therapy. We highlight the impact of nano-encapsulated CUR for efficient inhibition of cell proliferation, even at low concentrations compared to the free CUR when considering anti-proliferation. Furthermore nano-encapsulated CUR exhibited bioactive properties, exerted cytotoxic and anti-oxidant effects by acting on endogenous and cholinergic anti-oxidant systems. CUR was reported to block Hepatitis C virus (HCV) entry into hepatic cells, inhibit MRSA proliferation, enhance wound healing and reduce bacterial load. Nano-encapsulated CUR has also shown bioactive properties when acting on antioxidant systems (endogenous and cholinergic). Future research is necessary and must focus on investigation of encapsulated CUR nano-particles in different models of human pathology.
- Full Text:
- Date Issued: 2021
- Authors: Witika, Bwalya A , Makoni, Pedzisai A , Matafwali, Scott K , Mweetwa, Larry L , Shandele, Ginnethon C , Walker, Roderick B
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/183161 , vital:43917 , xlink:href="https://doi.org/10.3390/molecules26144244"
- Description: There is a dearth of natural remedies available for the treatment of an increasing number of diseases facing mankind. Natural products may provide an opportunity to produce formulations and therapeutic solutions to address this shortage. Curcumin (CUR), diferuloylmethane; I,7-bis-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione is the major pigment in turmeric powder which has been reported to exhibit a number of health benefits including, antibacterial, antiviral, anti-cancer, anti-inflammatory and anti-oxidant properties. In this review, the authors attempt to highlight the biological and pharmacological properties of CUR in addition to emphasizing aspects relating to the biosynthesis, encapsulation and therapeutic effects of the compound. The information contained in this review was generated by considering published information in which evidence of enhanced biological and pharmacological properties of nano-encapsulated CUR was reported. CUR has contributed to a significant improvement in melanoma, breast, lung, gastro-intestinal, and genito-urinary cancer therapy. We highlight the impact of nano-encapsulated CUR for efficient inhibition of cell proliferation, even at low concentrations compared to the free CUR when considering anti-proliferation. Furthermore nano-encapsulated CUR exhibited bioactive properties, exerted cytotoxic and anti-oxidant effects by acting on endogenous and cholinergic anti-oxidant systems. CUR was reported to block Hepatitis C virus (HCV) entry into hepatic cells, inhibit MRSA proliferation, enhance wound healing and reduce bacterial load. Nano-encapsulated CUR has also shown bioactive properties when acting on antioxidant systems (endogenous and cholinergic). Future research is necessary and must focus on investigation of encapsulated CUR nano-particles in different models of human pathology.
- Full Text:
- Date Issued: 2021
Flavonoids from the Genus Euphorbia
- Magozwi, Douglas K, Dinala, Mmabatho, Mokwana, Nthabiseng, Siwe-Noundou, Xavier, Krause, Rui W M, Sonopo, Molahleli, McGaw, Lyndy J, Augustyn, Wilma A, Tembu, Vuyelwa J
- Authors: Magozwi, Douglas K , Dinala, Mmabatho , Mokwana, Nthabiseng , Siwe-Noundou, Xavier , Krause, Rui W M , Sonopo, Molahleli , McGaw, Lyndy J , Augustyn, Wilma A , Tembu, Vuyelwa J
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/191736 , vital:45159 , xlink:href="https://doi.org/10.3390/ph14050428"
- Description: Plants of the genus Euphorbia are widely distributed across temperate, tropical and subtropical regions of South America, Asia and Africa with established Ayurvedic, Chinese and Malay ethnomedical records. The present review reports the isolation, occurrence, phytochemistry, biological properties, therapeutic potential and structure–activity relationship of Euphorbia flavonoids for the period covering 2000–2020, while identifying potential areas for future studies aimed at development of new therapeutic agents from these plants. The findings suggest that the extracts and isolated flavonoids possess anticancer, antiproliferative, antimalarial, antibacterial, anti-venom, anti-inflammatory, anti-hepatitis and antioxidant properties and have different mechanisms of action against cancer cells. Of the investigated species, over 80 different types of flavonoids have been isolated to date. Most of the isolated flavonoids were flavonols and comprised simple O-substitution patterns, C-methylation and prenylation. Others had a glycoside, glycosidic linkages and a carbohydrate attached at either C-3 or C-7, and were designated as d-glucose, l-rhamnose or glucorhamnose. The structure–activity relationship studies showed that methylation of the hydroxyl groups on C-3 or C-7 reduces the activities while glycosylation loses the activity and that the parent skeletal structure is essential in retaining the activity. These constituents can therefore offer potential alternative scaffolds towards development of new Euphorbia-based therapeutic agents.
- Full Text:
- Date Issued: 2021
- Authors: Magozwi, Douglas K , Dinala, Mmabatho , Mokwana, Nthabiseng , Siwe-Noundou, Xavier , Krause, Rui W M , Sonopo, Molahleli , McGaw, Lyndy J , Augustyn, Wilma A , Tembu, Vuyelwa J
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/191736 , vital:45159 , xlink:href="https://doi.org/10.3390/ph14050428"
- Description: Plants of the genus Euphorbia are widely distributed across temperate, tropical and subtropical regions of South America, Asia and Africa with established Ayurvedic, Chinese and Malay ethnomedical records. The present review reports the isolation, occurrence, phytochemistry, biological properties, therapeutic potential and structure–activity relationship of Euphorbia flavonoids for the period covering 2000–2020, while identifying potential areas for future studies aimed at development of new therapeutic agents from these plants. The findings suggest that the extracts and isolated flavonoids possess anticancer, antiproliferative, antimalarial, antibacterial, anti-venom, anti-inflammatory, anti-hepatitis and antioxidant properties and have different mechanisms of action against cancer cells. Of the investigated species, over 80 different types of flavonoids have been isolated to date. Most of the isolated flavonoids were flavonols and comprised simple O-substitution patterns, C-methylation and prenylation. Others had a glycoside, glycosidic linkages and a carbohydrate attached at either C-3 or C-7, and were designated as d-glucose, l-rhamnose or glucorhamnose. The structure–activity relationship studies showed that methylation of the hydroxyl groups on C-3 or C-7 reduces the activities while glycosylation loses the activity and that the parent skeletal structure is essential in retaining the activity. These constituents can therefore offer potential alternative scaffolds towards development of new Euphorbia-based therapeutic agents.
- Full Text:
- Date Issued: 2021
Force Field Parameters for Fe2+ 4S2− 4 Clusters of Dihydropyrimidine Dehydrogenase, the 5-Fluorouracil Cancer Drug Deactivation Protein: A Step towards In Silico Pharmacogenomics Studies
- Tendwa, Maureen B, Chebon-Bore, Lorna, Lobb, Kevin A, Musyoka, Thommas M, Taştan Bishop, Özlem
- Authors: Tendwa, Maureen B , Chebon-Bore, Lorna , Lobb, Kevin A , Musyoka, Thommas M , Taştan Bishop, Özlem
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/451078 , vital:75016 , xlink:href="https://doi.org/10.3390/molecules26102929 "
- Description: The dimeric dihydropyrimidine dehydrogenase (DPD), metalloenzyme, an adjunct anti-cancer drug target, contains highly specialized 4 × Fe2+4S2−4 clusters per chain. These clusters facilitate the catalysis of the rate-limiting step in the pyrimidine degradation pathway through a harmonized electron transfer cascade that triggers a redox catabolic reaction. In the process, the bulk of the administered 5-fluorouracil (5-FU) cancer drug is inactivated, while a small proportion is activated to nucleic acid antimetabolites. The occurrence of missense mutations in DPD protein within the general population, including those of African descent, has adverse toxicity effects due to altered 5-FU metabolism. Thus, deciphering mutation effects on protein structure and function is vital, especially for precision medicine purposes. We previously proposed combining molecular dynamics (MD) and dynamic residue network (DRN) analysis to decipher the molecular mechanisms of missense mutations in other proteins. However, the presence of Fe2+4S2−4 clusters in DPD poses a challenge for such in silico studies. The existing AMBER force field parameters cannot accurately describe the Fe2+ center coordination exhibited by this enzyme. Therefore, this study aimed to derive AMBER force field parameters for DPD enzyme Fe2+ centers, using the original Seminario method and the collation features Visual Force Field Derivation Toolkit as a supportive approach. All-atom MD simulations were performed to validate the results. Both approaches generated similar force field parameters, which accurately described the human DPD protein Fe2+4S2−4 cluster architecture. This information is crucial and opens new avenues for in silico cancer pharmacogenomics and drug discovery related research on 5-FU drug efficacy and toxicity issues.
- Full Text:
- Date Issued: 2021
- Authors: Tendwa, Maureen B , Chebon-Bore, Lorna , Lobb, Kevin A , Musyoka, Thommas M , Taştan Bishop, Özlem
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/451078 , vital:75016 , xlink:href="https://doi.org/10.3390/molecules26102929 "
- Description: The dimeric dihydropyrimidine dehydrogenase (DPD), metalloenzyme, an adjunct anti-cancer drug target, contains highly specialized 4 × Fe2+4S2−4 clusters per chain. These clusters facilitate the catalysis of the rate-limiting step in the pyrimidine degradation pathway through a harmonized electron transfer cascade that triggers a redox catabolic reaction. In the process, the bulk of the administered 5-fluorouracil (5-FU) cancer drug is inactivated, while a small proportion is activated to nucleic acid antimetabolites. The occurrence of missense mutations in DPD protein within the general population, including those of African descent, has adverse toxicity effects due to altered 5-FU metabolism. Thus, deciphering mutation effects on protein structure and function is vital, especially for precision medicine purposes. We previously proposed combining molecular dynamics (MD) and dynamic residue network (DRN) analysis to decipher the molecular mechanisms of missense mutations in other proteins. However, the presence of Fe2+4S2−4 clusters in DPD poses a challenge for such in silico studies. The existing AMBER force field parameters cannot accurately describe the Fe2+ center coordination exhibited by this enzyme. Therefore, this study aimed to derive AMBER force field parameters for DPD enzyme Fe2+ centers, using the original Seminario method and the collation features Visual Force Field Derivation Toolkit as a supportive approach. All-atom MD simulations were performed to validate the results. Both approaches generated similar force field parameters, which accurately described the human DPD protein Fe2+4S2−4 cluster architecture. This information is crucial and opens new avenues for in silico cancer pharmacogenomics and drug discovery related research on 5-FU drug efficacy and toxicity issues.
- Full Text:
- Date Issued: 2021
Nano Co-Crystal Embedded Stimuli-Responsive Hydrogels: A Potential Approach to Treat HIV/AIDS
- Witika, Bwalya A, Stander, Jessé-Clint, Smith, Vincent J, Walker, Roderick B
- Authors: Witika, Bwalya A , Stander, Jessé-Clint , Smith, Vincent J , Walker, Roderick B
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/183137 , vital:43915 , xlink:href="https://doi.org/10.3390/pharmaceutics13020127"
- Description: Currently, the human immunodeficiency virus (HIV) that causes acquired immunodeficiency syndrome (AIDS) can only be treated successfully, using combination antiretroviral (ARV) therapy. Lamivudine (3TC) and zidovudine (AZT), two compounds used for the treatment of HIV and prevention of disease progression to AIDS are used in such combinations. Successful therapy with 3TC and AZT requires frequent dosing that may lead to reduced adherence, resistance and consequently treatment failure. Improved toxicity profiles of 3TC and AZT were observed when combined as a nano co-crystal (NCC). The use of stimuli-responsive delivery systems provides an opportunity to overcome the challenge of frequent dosing, by controlling and/or sustaining delivery of drugs. Preliminary studies undertaken to identify a suitable composition for a stimulus-responsive in situ forming hydrogel carrier for 3TC-AZT NCC were conducted, and the gelation and erosion time were determined. A 25% w/w Pluronic® F-127 thermoresponsive hydrogel was identified as a suitable carrier as it exhibited a gelation time of 5 min and an erosion time of 7 days. NCC-loaded hydrogels were evaluated using in vitro dissolution and cytotoxicity assays. In vitro dissolution undertaken using membrane-less diffusion over 168 h revealed that 3TC and AZT release from NCC-loaded hydrogels was complete and followed zero-order kinetic processes, whereas those loaded with the micro co-crystal and physical mixture were incomplete and best described using the Korsmeyer–Peppas kinetic model. The release of AZT and 3TC from the physical mixture and MCC-loaded gel exhibited a value for n of 0.595 for AZT release from the physical mixture and 0.540 for the MCC technology, whereas the release exponent for 3TC was 0.513 for the physical mixture and 0.557 for the MCC technology indicating that diffusion and erosion controlled 3TC and AZT release. In vitro cytotoxicity assay data revealed that the addition of NCC to the thermoresponsive hydrogel resulted in an improved cell viability of 88.0% ± 5.0% when compared to the cell viability of the NCC of 76.9% ± 5.0%. The results suggest that the use of a thermoresponsive nanosuspension may have the potential to be delivered as an intramuscular injection that can subsequently increase bioavailability and permit dose reduction and/or permit use of a longer dosing frequency.
- Full Text:
- Date Issued: 2021
- Authors: Witika, Bwalya A , Stander, Jessé-Clint , Smith, Vincent J , Walker, Roderick B
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/183137 , vital:43915 , xlink:href="https://doi.org/10.3390/pharmaceutics13020127"
- Description: Currently, the human immunodeficiency virus (HIV) that causes acquired immunodeficiency syndrome (AIDS) can only be treated successfully, using combination antiretroviral (ARV) therapy. Lamivudine (3TC) and zidovudine (AZT), two compounds used for the treatment of HIV and prevention of disease progression to AIDS are used in such combinations. Successful therapy with 3TC and AZT requires frequent dosing that may lead to reduced adherence, resistance and consequently treatment failure. Improved toxicity profiles of 3TC and AZT were observed when combined as a nano co-crystal (NCC). The use of stimuli-responsive delivery systems provides an opportunity to overcome the challenge of frequent dosing, by controlling and/or sustaining delivery of drugs. Preliminary studies undertaken to identify a suitable composition for a stimulus-responsive in situ forming hydrogel carrier for 3TC-AZT NCC were conducted, and the gelation and erosion time were determined. A 25% w/w Pluronic® F-127 thermoresponsive hydrogel was identified as a suitable carrier as it exhibited a gelation time of 5 min and an erosion time of 7 days. NCC-loaded hydrogels were evaluated using in vitro dissolution and cytotoxicity assays. In vitro dissolution undertaken using membrane-less diffusion over 168 h revealed that 3TC and AZT release from NCC-loaded hydrogels was complete and followed zero-order kinetic processes, whereas those loaded with the micro co-crystal and physical mixture were incomplete and best described using the Korsmeyer–Peppas kinetic model. The release of AZT and 3TC from the physical mixture and MCC-loaded gel exhibited a value for n of 0.595 for AZT release from the physical mixture and 0.540 for the MCC technology, whereas the release exponent for 3TC was 0.513 for the physical mixture and 0.557 for the MCC technology indicating that diffusion and erosion controlled 3TC and AZT release. In vitro cytotoxicity assay data revealed that the addition of NCC to the thermoresponsive hydrogel resulted in an improved cell viability of 88.0% ± 5.0% when compared to the cell viability of the NCC of 76.9% ± 5.0%. The results suggest that the use of a thermoresponsive nanosuspension may have the potential to be delivered as an intramuscular injection that can subsequently increase bioavailability and permit dose reduction and/or permit use of a longer dosing frequency.
- Full Text:
- Date Issued: 2021
Nationwide Assessment of Population Structure, Stability and Plant Morphology of Two Mimusops Species along a Social-Ecological Gradient in Benin, West Africa
- Sinasson, Gisèle K, Shackleton, Charlie M, Sinsin, Brice
- Authors: Sinasson, Gisèle K , Shackleton, Charlie M , Sinsin, Brice
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/399805 , vital:69560 , xlink:href="https://doi.org/10.3390/f12111575"
- Description: Understanding tree species autecology and population structure supports effective conservation actions. Of particular importance are multipurpose trees that provide non-timber forest products (NTFPs). We assessed the population structures and morphologies of two species of NTFP trees in the genus Mimusops across bioclimatic zones in Benin by sampling 288 plots within 11 forests. Structural characteristics were compared between species, forests and zones. Correlations were also observed between Mimusops tree regeneration density, tree features and ecological characteristics. The density of trees ≥5 cm and of regeneration and mean tree height were higher for M. andongensis (within more protected forest) than M. kummel (in forests with access to people), while the highest mean diameter was observed for M. kummel. Tree and regeneration densities and mean height were greatest in the humid zone of Benin, whilst the largest mean diameter was obtained in the sub-humid zone. The results showed significant correlations between regeneration density and soil properties for M. andongensis but not for M. kummel. The correlations between tree morphology and soil characteristics were weak for both species. Ecological characteristics, along with the species’ functional traits and pressures, are important factors related to the observed differences between the species. All diameter classes were represented, and the population seemed more stable in the more protected forest relative to other forests. Mimusops trees with a diameter of 5–15 cm represented more than 30% of this species in most forests; this suggests, for M. kummel, whose trees flower when quite small (≥6 cm dbh), that there are sufficient reproductive trees. Thus, as a long-lived species, its populations could be maintained even with low/episodic recruitment. However, we found no regeneration in many forests and climate change could threaten populations. Therefore, it is important to investigate regeneration growth and dynamics, seed production and germination of the species in relation to the biophysical conditions and disturbances experienced by Mimusops stands.
- Full Text:
- Date Issued: 2021
- Authors: Sinasson, Gisèle K , Shackleton, Charlie M , Sinsin, Brice
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/399805 , vital:69560 , xlink:href="https://doi.org/10.3390/f12111575"
- Description: Understanding tree species autecology and population structure supports effective conservation actions. Of particular importance are multipurpose trees that provide non-timber forest products (NTFPs). We assessed the population structures and morphologies of two species of NTFP trees in the genus Mimusops across bioclimatic zones in Benin by sampling 288 plots within 11 forests. Structural characteristics were compared between species, forests and zones. Correlations were also observed between Mimusops tree regeneration density, tree features and ecological characteristics. The density of trees ≥5 cm and of regeneration and mean tree height were higher for M. andongensis (within more protected forest) than M. kummel (in forests with access to people), while the highest mean diameter was observed for M. kummel. Tree and regeneration densities and mean height were greatest in the humid zone of Benin, whilst the largest mean diameter was obtained in the sub-humid zone. The results showed significant correlations between regeneration density and soil properties for M. andongensis but not for M. kummel. The correlations between tree morphology and soil characteristics were weak for both species. Ecological characteristics, along with the species’ functional traits and pressures, are important factors related to the observed differences between the species. All diameter classes were represented, and the population seemed more stable in the more protected forest relative to other forests. Mimusops trees with a diameter of 5–15 cm represented more than 30% of this species in most forests; this suggests, for M. kummel, whose trees flower when quite small (≥6 cm dbh), that there are sufficient reproductive trees. Thus, as a long-lived species, its populations could be maintained even with low/episodic recruitment. However, we found no regeneration in many forests and climate change could threaten populations. Therefore, it is important to investigate regeneration growth and dynamics, seed production and germination of the species in relation to the biophysical conditions and disturbances experienced by Mimusops stands.
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- Date Issued: 2021
Prevalence of Hypertension and Its Associated Risk Factors in a Rural Black Population of Mthatha Town, South Africa
- Jyoti Rajan Sharma, Sihle E. Mabhida, Bronwyn Myers 3, Teke Apalata, Edward Nicol, Mongi Benjeddou, Christo Muller, Rabia Johnson
- Authors: Jyoti Rajan Sharma , Sihle E. Mabhida , Bronwyn Myers 3 , Teke Apalata , Edward Nicol , Mongi Benjeddou , Christo Muller , Rabia Johnson
- Date: 2021
- Language: English
- Type: Journal article
- Identifier: http://hdl.handle.net/11260/3980 , vital:43979
- Full Text:
- Authors: Jyoti Rajan Sharma , Sihle E. Mabhida , Bronwyn Myers 3 , Teke Apalata , Edward Nicol , Mongi Benjeddou , Christo Muller , Rabia Johnson
- Date: 2021
- Language: English
- Type: Journal article
- Identifier: http://hdl.handle.net/11260/3980 , vital:43979
- Full Text: