Research Articles (University of Pretoria)
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Item Groundwater-vegetation interactions in rangeland ecosystems : a review(MDPI, 2025-04) Rapiya, Monde; Ramoelo, AbelWater scarcity is a growing global issue, especially in arid and semi-arid rangelands, primarily due to climate change and population growth. Groundwater is a crucial resource for vegetation in these ecosystems, yet its role in supporting plant life is often not fully understood. This review explores the interactions between groundwater and vegetation dynamics in various rangeland types. Groundwater serves as a critical water source that helps sustain plants, but changes in its availability, depth, and quality can significantly impact plant health, biodiversity, and ecosystem stability. Research indicates that groundwater depth affects vegetation types and their distribution, with specific plants thriving at certain groundwater levels. For instance, in grasslands, shallow groundwater can support diverse herbaceous species, while deeper conditions may favor drought-tolerant shrubs and trees. Similarly, in forest ecosystems, extensive root systems access both groundwater and soil moisture, playing a vital role in water regulation. Savanna environments showcase complex interactions, where trees and grasses compete for water, with groundwater potentially benefiting trees during dry seasons. Climate change poses additional challenges by altering rainfall patterns and temperatures, affecting groundwater recharge and availability. As a result, it is crucial to develop effective management strategies that integrate groundwater conservation with vegetation health. Innovative monitoring techniques, including remote sensing, can provide valuable information about groundwater levels and their impact on vegetation, enhancing water resource management. This review emphasizes the importance of understanding groundwater–vegetation interactions to guide sustainable land and water management practices. By enhancing our knowledge of these connections and utilizing advanced technologies, we can promote ecosystem resilience, secure water resources, and support biodiversity in rangeland systems. Collaborative efforts among local communities, scientists, and policymakers are essential to address the pressing issues of water scarcity and to ensure the sustainability of vital ecosystems for future generations.Item Mitigation of opportunistic pathogens in hot water systems : a review focused on premise plumbing in South Africa(Water Research Commission, 2025-05) Moodley, S.J.; Venter, S.N. (Stephanus Nicolaas); Muchesa, P.; Barnard, T.G.; Singh, A.Water reticulation systems (i.e., premise plumbing) serve as a reservoir for opportunistic premise plumbing pathogens (OPPPs) to survive within these premise systems. OPPPs can be transmitted to individuals mainly via inhalation of aerosols from these water systems. These OPPPs can adapt, thrive and survive under a range of different conditions, which include high temperatures and low oxygen levels during stagnation, conditions often associated with household plumbing systems, including hot water systems (HWS). Hospitals are of specific concern as infections caused by OPPPs predominantly affect individuals who have underlying illnesses or health conditions. The current South African National Standard (SANS) 241 for drinking water does not provide information regarding testing for the presence of OPPPs, while the SANS 893 and 893-1 standards only provide a guideline for Legionella in water systems. The presence of OPPPs within HWS and premise plumbing is a concern, and a need exists to establish remediation and mitigation measures to control the presence of OPPPs in buildings. This review addresses risk analysis, evaluation and measures, which include the control of geyser temperatures and training of plumbers, as well as sampling and detection of OPPPs. This should limit the number of infections amongst individuals and will thus lessen the financial burden on health care systems and the economy.Item Quantifying urban land cover imperviousness as input for flood simulation using machine learning : South African case study(IWA Publishing, 2025-05) Loots, Ione; Smithers, Jeffrey Colin; Kjeldsen, Thomas Rodding; ione.loots@up.ac.zaThe imperviousness of urban surfaces is an important parameter in simulating urban hydrological responses, but quantifying imperviousness can be challenging and time-consuming. In response, this study presents a new framework to efficiently estimate the imperviousness of urban surfaces, using satellite images with Red, Green and Blue bands and a land cover dataset with multiple built-up urban classes through remote sensing, machine learning and field verification. The methodology is adaptable to other regions with similar datasets. For a case study in Pretoria, South Africa, major differences in median total impervious area percentages (mTIA%) were identified when compared between land cover groups: residential areas had a lower imperviousness median (mTIA% = 38%) than commercial (mTIA% = 81%) and industrial (mTIA% = 89%) land cover. The mTIA% also varies between 17 and 61% for a range of different formally developed residential classes and between 14 and 43% for a range of different informally developed residential classes. These mTIA% are recommended for any urban area within the South African National Land Cover dataset. These values can be incorporated into hydraulic and hydrological models, which improve the efficiency of parameter estimation for modelling. The methodology successfully quantified temporal imperviousness changes in the study area.Item Delta ferrite in modified 9Cr–1Mo steel weld metal(Springer, 2025) Mahlalela, Sibusiso Samuel; Pistorius, Pieter Georg Hendrik; sibusiso.mahlalela@up.ac.zaPlease read abstract in the article.Item Prevalence of lower back pain and associated workplace and ergonomic factors among mineworkers in a nickel mine, Zimbabwe(MDPI, 2024-09-16) Zenda, Kumbirai P.; Rathebe, Phoka C.; Moto, Tshepo Paulsen; Masekameni, Daniel M.; Mbonane, Thokozani P.Lower back pain is a common occurrence among mine workers due to the nature of their work. Globally, workplace (occupational) and ergonomic risk factors have been reported to influence the prevalence of lower back pain among workers. This study aimed to determine ergonomic risk factors associated with lower back pain and associated risk factors (workplace and ergonomics) among mineworkers in a nickel mine in Zimbabwe. A cross-sectional study design was employed, and participants were randomly selected to complete a questionnaire that included the Dutch Musculoskeletal Questionnaire (DMQ). A total of 420 mine workers were interviewed, with the majority being male (n = 259, 61.7%) and aged between 31 and 44 years old (n = 159, 37.9%). The study found that the prevalence of lower back pain was 41.43% (n = 174). Several risk factors were found to be associated with lower back pain, including working overtime (AOR = 1.13, p < 0.01; 95% CI: 0.07–0.22), performing repetitive tasks (AOR = 8.06, p < 0.01; 95% CI: 4.67–13.93), bending (AOR = 7.77, p < 0.01; 95% CI: 3.97–15.22), and twisting (AOR = 3.32, p < 0.01; 95% CI: 1.83–6.03). Based on these findings, it is recommended that an ergonomic risk assessment and prevention program be implemented, which should include educational awareness about lower back pain and its prevention among mine workers.Item Self-reported experience of outreach activities amongst undergraduate oral health students at a university in South Africa(South African Dental Association, 2024-02) Kruger, Candida; Nkambule, Ntombizodwa Rosemary; Bhayat, Ahmed; zodwa.nkambule@up.ac.zaINTRODUCTION : Outreach activities (OAs) are structured learning experiences, combining intentional learning goals with services to underserved communities. Oral health students participated on the Phelophepa Train (PT) and school-based programmes (SBPs) as part of their OAs. AIM AND OBJECTIVES : To evaluate the self-reported experiences of OA amongst undergraduate oral health students. DESIGN : Cross-sectional which included final year dental (N=62) and oral hygiene students (N= 13) registered in 2019. METHODS : Information was obtained using a modified, self administered questionnaire which included the number and type of procedures performed; work-related limitations, personal work benefits, academic development and civic responsibility. RESULTS : The response rate was 93% (N=65) and students performed more procedures on the train compared to the SBP. Most common procedures undertaken by dental students were screening (64%) and restorations (56%) for oral hygiene students it was screenings (92%) and examinations, fissure sealants and screenings 39% on the train and 31% at SBPs. The most common challenges on both the train and SBPs were inadequate materials (74%) and (41%), poor infection control (15%) and (41% and defective equipment (31%) and (38%) respectively. CONCLUSION : Although students performed a variety of clinical services they reported to have faced a number of challenges. The majority of students reported that OAs exposed them to the needs of the communities and encouraged them to improve their independence and accountability towards patients.Item Root and canal morphology of the maxillary first molar : a micro-computed tomography-focused review of literature with illustrative cases : Part 1 : External root morphology(South African Dental Association, 2024-02) Jonker, C.H.; Van der Vyver, Petrus Jacobus; Oettle, A.C.Cleaning and shaping of the root canal are profoundly affected by the complexity of root and canal morphology. Undiscovered roots or canals may lead to a reduced prognosis of a treated tooth as hidden causative organisms and their by-products can cause re-infection. Most maxillary first molars have three roots, namely mesio-buccal (MB), disto-buccal (DB) and palatal (P). They can be separate or fused, with incidences varying between populations. Anomalies have also been documented that include single-rooted, double-rooted, four and even five-rooted teeth. Additional roots are mostly in the form of additional palatal roots and are known as either a radix mesiolingualis (RML) or radix distolingualis (RDL). This paper is the first of two giving an overview, focused on micro-CT, of available literature on various aspects of the root and canal morphology of the maxillary first permanent molar. The aim of this paper is to provide an overview of relevant aspects of the external root morphology in different populations. The content is supported by illustrative micro-CT images and case reports of rare morphological findings on maxillary first molars.Item Oral presentation of haematological disease : Part II – Iron deficiency anaemia(South African Dental Association, 2024-07) Fourie, Jeanine; Nel, Jan Gert; jeanine.fourie@up.ac.zaINTRODUCTION : Iron deficiency anaemia may be responsible for diverse oral mucosa changes due to the reduced oxygen-carrying capacity of red blood cells, but also due to changes in the oral mucosal structure and defence mechanisms. Aims and objectives This study aims to report on three patients with iron deficiency anaemia who presented with distinct oral mucosal clinical features. DESIGN/METHODS : The oral mucosal features of three patients who presented at the University of Pretoria Oral Health Centre with iron deficiency anaemia, of variable causes, were recorded. Special investigations were performed and reflected their degree of iron deficiency. The patients were managed collaboratively with their respective physicians to address the underlying cause of anaemia. RESULTS : These cases demonstrate that dentists should explore the presence of anaemia to explain oral mucosal changes. Anaemia may present with wide-ranging clinical features, from recurrent to persistent oral ulcers, mucosal pallor, and Candida infection. Collaboration with attending physicians may help establish the cause of anaemia as a nutritional deficiency, gastric ulceration, or infective and inflammatory disease. CONCLUSIONS : Dentists are pivotal in diagnosing haematological diseases such as iron deficiency anaemia. The oral features of ulceration, glossitis, Candida infection and mucosal pallor are important diagnostic indicators of iron deficiency anaemia.Item Oral presentation of haematological disease : Part I – Diseases of bone marrow failure(South African Dental Association, 2024-06) Fourie, Jeanine; Nel, Jan Gert; jeanine.fourie@up.ac.zaINTRODUCTION : The bone marrow is responsible for haemopoiesis, but when it fails, oral mucosal lesions may be seen due to reduced platelets, white blood cells, or red blood cells. AIMS AND OBJECTIVES : This study aims to report on three patients who presented with leukaemia, aplastic anaemia and neutropenia, respectively, with spontaneous bleeding, ulceration and mucosal pallor. DESIGN/METHODS : The oral mucosal features of three patients who presented at the University of Pretoria Oral Health Centre, with varying degrees of bone marrow failure, were recorded. Special investigations were performed to check their bone marrow function. The patients were managed collaboratively with their respective physicians. RESULTS: These cases demonstrate that dentists should be cognisant of disorders of bone marrow failure so that patients are a) diagnosed timely and appropriately, b) referred back to their treating clinician due to relapse of a known disease, or c) managed in collaboration with their treating clinician to confirm a suspected diagnosis. CONCLUSIONS : Dentists play a pivotal role in diagnosing haematological disease that results from bone marrow failure. Bleeding, ulceration and mucosal pallor are important diagnostic indicators of reduced platelet, neutrophil and red blood cell counts.Item Oral health in children and adolescents with special healthcare needs in South Africa : a narrative review(South African Dental Association, 2024-03) Njoroge, N.; Magan, A.; Hlongwa, PhumzileChildren and adolescents with special healthcare needs (CWSHCN) may experience disproportionately poorer general and oral health than healthy children. They are more at risk of common conditions such as dental caries and gingivitis resulting from poor oral health. They comprise of children and youth “with or at risk of chronic physical, developmental, behavioural or emotional conditions”, including, inter alia, intellectual disability (ID), cerebral palsy (CP), learning disability (LD), autism spectrum disorder (ASD), hearing impairment (HI), Down Syndrome (DS), physical disabilities (PD), visual impairments (VI) and epilepsy (EP). Globally, the prevalence of disabilities is increasing, even in developing countries such as South Africa (SA), resulting in a greater burden on healthcare systems.Item Knowledge and attitudes of oral health care workers on HIV-associated oral lesions : a study at PHC facilities in Gauteng(South African Dental Association, 2024-04) Dhlodhlo, N.M.; Mukhari-Baloyi, N.A.; Madiba, Thomas KhomotjoBACKGROUND : Oral health care workers (OHCWs) are critical in providing holistic treatment and preventing the spread of HIV disease. They are uniquely placed to identify, diagnose, manage and treat HIV-related oral lesions. AIM : To determine oral health clinicians' knowledge and attitudes towards HIV-associated oral lesions. METHODOLOGY : A descriptive cross-sectional survey was conducted at Gauteng's primary health care (PHC) facilities. Data collection targeted the three categories of OHCWs - dentists, dental therapists and oral hygienists. RESULTS: The response rate was 67.5% (n=110), majority of the participants, 76.4% (n=84), were female. Nearly all participants, 91.8% (n=100), agreed that oral lesions are common in people living with HIV and AIDS (PLWHA) and that early diagnosis of HIV/treatment increases PLHIV's life expectancy. More than three-quarters (80%) reported that they had no problem treating patients diagnosed with HIV Almost a third, 36.4% (n=40), listed necrotising periodontal conditions and oral candidiasis 34.5% (n=38) as the most common oral manifestations. Most respondents correctly identified oral candidiasis (92.7%), Kaposi sarcoma (84.5%) and necrotising ulcerative periodontal conditions (80.9%). CONCLUSION : Although OHCWs had sound knowledge of oral manifestations of HIV, training programmes must be prioritised for knowledge transfer. Dental facilities can be used as a health-promoting platform and a viable location for provider-initiated testing and counselling (PICT) and client-initiated counselling and testing (CICT), also known as voluntary counselling and testing (VCT). The use of HIV rapid testing kits is an option to be explored in the dental facility by OHCWs.Item Cervical margin relocation in indirect restorations(South African Dental Association, 2024-05) Kok, J.; Sykes, Leanne M.; leanne.sykes@up.ac.zaCervical margin relocation (CMR) is a technique used to raise the deepest portion of a cavity preparation from asubgingival to a supragingival level. This paper presents an overview of the technique and an analysis of current thinking and practices regarding the use of CMR when carrying out indirect restorations on teeth with deep subgingival margins. Despite promising results, the procedure is still controversial and most studies have been focused on laboratory-based testing of parameters such as bond strength, marginal integrity and fracture behaviour of the restorations. Although long-term clinical survival rates are reportedly high (96%), debate continues regarding the procedure’s impact on gingival health. This paper will explore the historical and clinical development of CMR, its indications, advantages and disadvantages, as well as the time and cost implications, and long-term prognosis. While CMR appears to be safe and effective in appropriately selected cases, with meticulous application techniques, further randomised controlled clinical trials are necessary to draw definitive conclusions.Item Evaluation of different baseplate materials on casts with various palatal vault depths(South African Dental Association, 2024-06) Sitoe, M.B.; Sykes, Leanne M.; Bradfield, C.INTRODUCTION : The choice of baseplate material for a trial complete maxillary denture is a critical decision in prosthodontic practice. One significant factor to consider is the depth of the palatal vault, which can influence the suitability of the baseplate material. Close adaptation of the denture base is essential in preventing lateral denture movement and enhancing denture retention and support. AIMS AND OBJECTIVES : This study was undertaken to evaluate and determine the most suitable baseplate material to use on casts of various palatal vault depths. METHODS : A total of 120 casts with varying palatal vault depths categorized as shallow, moderate, and deep were fabricated (40 per group). Denture bases, all designed to a uniform 2-mm thickness, were created using four different commonly used materials: pink baseplate wax, self-cured acrylic resin, light-cured acrylic resin, and 3D-printed photo-polymerized resin. Both the casts and the fabricated denture bases were sectioned down the midline. Measurements of adaptation were taken from the left halves. Readings were taken of the gap between the denture bases and the casts at three predefined positions (I - incisive papilla, II - mid-palatal area and III - posterior palatal seal area. RESULTS: For shallow palates the best material (i.e., most closely adapted) in position I was light-cured acrylic, in position II was self-cured acrylic and in position III was light-cured acrylic. For moderate depth palates the best material in position I was light-cured acrylic, in position II was self-cured acrylic and in position III was light-cured acrylic. For deep palates the best material in position I was self-cured acrylic, in position II was self-cured acrylic and in position III was light-cured acrylic. CONCLUSIONS : For all three palatal depths, the material with the closest adaptation in position II (mid-palate) was the self-cured acrylic resin and in position III (the post-dam area) was the light-cured acrylic. In position I (incisive papilla) the light-cured resin performed slightly better in shallow and moderate palates and the self-cured resin in deep palates. It would thus seem that based on this study technicians and clinicians should consider using firstly light-cured acrylic resin or self-cured acrylic resin as opposed to the more commonly used pink baseplate wax for trial denture base plates.Item The influence of rehydration on decomposition in the Highveld region of South Africa—using a pig model(Wiley, 2024-07) Du Toit, Claire Lynne; Myburgh, Jolandie; Brits, DesireResearchers have observed that rainfall may re-initiate decomposition in desiccated tissue; however, no conclusive research-based evidence exists on the specific effects of rehydration on decomposition. Therefore, this study aimed to assess the effects of artificial rehydration on the progression of decomposition following the advanced stage of decomposition. Twelve adult pig cadavers (8 experimental; 4 controls) were placed in the central Highveld of South Africa during cooler (April–July 2021) and warmer (August–November 2021) months. Decomposition was scored approximately biweekly to obtain the total body score, and accumulated degree days (ADD) were calculated for each pig. All pig cadavers were covered by chicken wire cages with transparent tarps to control for natural rehydration and scavenging. Once the experimental pig cadavers reached a three-visit stasis in the advanced phase of decomposition, they were artificially rehydrated, and changes in the progression of decomposition between the control and experimental groups were plotted (ADD against TBS) for observation. The rehydrated experimental pig cadavers showed re-initiation of decay and insect re-colonization, while the control cadavers mainly remained in a state of stasis with insect activity ceased altogether. Greater cadaver decomposition islands and a color change post-rehydration were also noted in some experimental cadavers. This supports the need for future research on the impact of rehydration, including associated soil moisture on decomposition rates, progression, and invertebrate colonization, which will enhance our understanding of the effects these environmental factors have on the accuracy of post-mortem interval estimation.Item Social networks and the origenist controversy: the case of Anastasius I of Rome, Jerome, and Paulinus of Nola(Johns Hopkins University Press, 2024) Dunn, Geoffrey D.Attention to the complexities of social networks at the time of the first Origenist controversy at the end of the fourth century reveals that while both Jerome and Anastasius I, bishop of Rome, were anti-Origenist, they had differing attitudes towards Paulinus of Nola. Jerome was suspicious of him because of Origenist associates, while Anastasius seems to have held him in high regard. It is argued here that it is too simplistic to divide participants in this controversy into pro- and anti-Origenist camps and to expect that those within each camp all shared the same outlook and evaluation of others. Personal attitudes towards others usually are shaped by more than one issue, and different issues hold different significance for different people. In the case of Anastasius, it would appear that he was unaware of potential Origenist sympathies held by Paulinus, did not place the same importance on his network of contacts as Jerome did, and/or was more influenced by his social standing as a member of the elite than by suspicion about possible Origenist affinity.Item Re-conceptualizing development terminology from a relational approach : perspectives from two case studies in South Africa(Sage, 2024-03) Holtzhausen, Marlie; marlie.holtzhausen@up.ac.zaThis article uses a relational approach to re-conceptualize development concepts, measures, and practices. It explores how participants in the development sector construct and make sense of their lived realities and how they perceive and act on development initiatives as part of a social process. This is a qualitative study that uses a case study of two organizations in the development sector of South Africa working with individuals and households in communities that are in precarious circumstances. The organizations are small but rich in understanding what it means to be present, to learn, to negotiate, to allow for choices, and to do so within a sustainable view of development relationships. The insights from these contexts and the ethos from which they derive provide us with an opportunity to rethink the ethos that guides the broader development discourse.Item Influence of smoking on the volatiles profile of Arius parkii, Cyprinus carpio and three selected Sciaenidae family fish species(Taylor and Francis, 2024) Odukoya, Johnson Oluwaseun; Kayitesi, Eugenie; Mphahlele, Mokgadi Precious; Tata, Charlotte Mungho; Gouado, Inocent; Ikhile, Monisola Itohan; Ndinteh, Derek TantohThe impact of smoking on the volatile components of five fish species via a two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (GC×GC-TOF-MS) was studied. Among these, C. carpio was found to be the most susceptible to deterioration. The experimental results affirmed that: fresh fish flavors are delicate, aroma/odor production via smoking depends on the fish specie involved and that industrial processes with heat application may affect fresh fish odor-active components. It further indicated the possibility of smoking to bring about the contribution of volatile compounds from wood smoke, production of off-flavors and/or increase the levels of some harmful compounds in fish.Item Crop mixtures influence fall armyworm infestation and natural enemy abundance in maize-based intercropping systems(Springer, 2024-12) Peter, Emmanuel; Yusuf, Abdullahi Ahmed; Subramanian, Sevgan; Kruger, Kerstin; Karlsson Green, Kristina; Anderson, Peter; Torto, Baldwyn; Tamiru, AmanuelThe fall armyworm (FAW), Spodoptera frugiperda (J. E. Smith), causes significant damage to maize, threatening the food security and livelihood of millions of smallholder farmers in sub-Saharan Africa (SSA). Crop diversification has been recommended as an ecologically sustainable FAW control option. However, limited information is available on the impacts of companion plants and their control mechanisms against FAW in SSA, being a relatively new pest to the region. Building upon our earlier laboratory study, which elucidated how edible companion intercrops effectively reduce FAW infestation, we conducted field experiments in Kenya to assess the effectiveness of intercropping maize with beans, groundnut, cassava and sweet potato under realistic field conditions. Growing maize with these intercrops consistently resulted in fewer FAW eggs, larvae and lower plant infestation compared to maize monoculture except with cassava. Additionally, maize under these intercrops experienced low FAW damage and higher crop yield compared to maize monoculture. Maize growth stages significantly influenced the population of FAW eggs and larvae, with a peak observed between vegetative stages V4 and V10. Furthermore, intercropped maize plots exhibited a higher presence of FAW predators, such as lady beetles and earwigs. Correlation analysis revealed a significant correlation between temperature, relative humidity, and the population of FAW life stages and natural enemies at the experimental sites. Therefore, intercropping maize with beans, sweet potato, and groundnuts can be incorporated into an integrated FAW management strategy to sustainably control the pest in real farming conditions. These findings are particularly relevant for small-scale farmers in Africa and beyond, who cannot afford expensive FAW control using insecticides.Item Calculated LDL-cholesterol : comparability of the extended Martin/Hopkins, Sampson/NIH, Friedewald and four other equations in South African patients(BMJ Publishing, 2024-09) Carelse, Amber; Rossouw, Helgard M.; Steyn, Nicolene; Martins, Janine; Pillay, Tahir S.AIMS : The reference method for low-density lipoprotein-cholesterol (LDL-C) is ultracentrifugation. However, this is unsuitable for routine use and therefore direct LDL-C assays and predictive equations are used. In this study, we compared the Friedewald, extended Martin/Hopkins, Sampson/NIH and four other equations to a direct assay. METHODS : We analysed 44 194 lipid profiles from a mixed South African population. The LDL-C predictive equations were compared with direct LDL-C assay and analysed using non-parametric statistics and error grid analysis. RESULTS : Both the extended Martin/Hopkins and Sampson/NIH equations displayed the best correlation with direct LDL-C in terms of desirable bias and total allowable error. The direct LDL-C assay classified 13.9% of patients in the low LDL-C (1.0-1.8 mmol/L) category, in comparison to the extended Martin/Hopkins equation (13.4%), the Sampson equation (14.6%) and the Friedewald equation (16.0%). The Sampson/NIH was least biased in the low LDL-C category (<1.8 mmol/L) and produced the least overall clinically relevant errors compared with the extended Martin/Hopkins and Friedewald equations in the low-LDL-C category. CONCLUSIONS : Our findings suggest only a marginal difference between the extended Martin/Hopkins equation and the Sampson/NIH equation with the use of the Beckman Coulter DxC800 analyser in this population. The results favour the implementation of the Sampson/NIH equation when the Beckman Coulter DxC analyser is used, but the extended Martin/Hopkins may also be safely implemented. Both of these equations performed significantly better than the Friedewald equation. We recommend that patients be monitored using one of these methods and that each laboratory perform its own validation of either equation to ensure continuation and accuracy, and to prevent between-method variation.Item Antimalarial potential, LC-MS secondary metabolite profiling and computational studies of Zingiber officinale(Taylor and Francis, 2024) Faloye, Kolade O.; Tripathi, Manish K.; Adesida, Stephen A.; Oguntimehin, Samuel A.; Oyetunde, Yemisi M.; Adewole, Adetola Henry; Ogunlowo, Ifeoluwa I.; Idowu, Esther A.; Olayemi, Uduak I.; Dosumu, Olamide D.Malaria is among the top-ranked parasitic diseases that pose a threat to the existence of the human race. This study evaluated the antimalarial effect of the rhizome of Zingiber officinale in infected mice, performed secondary metabolite profiling and detailed computational antimalarial evaluation through molecular docking, molecular dynamics (MD) simulation and density functional theory methods. The antimalarial potential of Z. officinale was performed using the in vivo chemosuppressive model; secondary metabolite profiling was carried out using liquid chromatography–mass spectrometry (LC–MS). Molecular docking was performed with Autodock Vina while the MD simulation was performed with Schrodinger desmond suite for 100 ns and DFT calculations with B3LYP (6-31G) basis set. The extract showed 64% parasitaemia suppression, with a dose-dependent increase in activity up to 200 mg/kg. The chemical profiling of the extract tentatively identified eight phytochemicals. The molecular docking studies with plasmepsin II and Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) identified gingerenone A as the hit molecule, and MMGBSA values corroborate the binding energies obtained. The electronic parameters of gingerenone A revealed its significant antimalarial potential. The antimalarial activity elicited by the extract of Z. officinale and the bioactive chemical constituent supports its usage in ethnomedicine.