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Marek's disease virus (MDV) integrates its genome into the telomeres of host chromosomes and causes fatal lymphomas in chickens. This integration is facilitated by telomeric repeat sequences (TMRs) at the ends of the viral genome, and is crucial for MDV-induced lymphomagenesis. The SB-1 vaccine virus is commonly used in commercial bivalent vaccines against MDV and also contains TMRs at its ends. Here, we demonstrate that SB-1 efficiently integrates its genome into the chromosomes of latently infected T cells. Deletion of the TMRs from the SB-1 genome did not affect virus replication, but severely impaired virus integration and genome maintenance in latently infected T cells and in chickens. Strikingly, the reduced integration and maintenance of latent SB-1 significantly impaired vaccine protection. Taken together, our data revealed that the TMRs facilitate SB-1 integration and that integration and/or maintenance of the latent viral genome is critical for vaccine protection. [ABSTRACT FROM AUTHOR]

The adsorption of pollutants onto metal and metal oxide nanoparticles of zinc oxide, silver, magnetite, and copper oxide as efficient adsorbents has received tremendous attention in recent years. However, only a few reports are available on the adsorption potentials of NiO nanoparticles (NiONPs). This work reports the adsorption of amoxicillin and nortriptyline pharmaceuticals onto biosynthesized NiONPs prepared from the aqueous leave extract of Platanus occidentalis. The plant leaf-mediated NiONPs were characterized via standard techniques and revealed successful synthesis of the nano-adsorbent. The NiONPs showed a pHpzc of 8.6, a surface area of 128.4 m2/g, pore volume of 0.486 cm3/g, and a pore diameter of 12.84 nm. The adsorption capacity of NiONPs for amoxicillin and nortriptyline was 116.7 mg/g and 72.62 mg/g, respectively. The Freundlich model was well suited to the isotherm modeling of the process compared to Temkin and Langmuir models. Kinetics was well described by the pseudo-second-order and intraparticle diffusion rate equations. The adsorption was found to be exothermic and spontaneous with a decrease in randomness at the pharmaceutical NiONPs interface. The biosynthesized NiONPs showed less than 10% decrease in the percentage adsorption of both pollutants after five cycles of reuse. This research showed that Platanus occidentalis leaf-mediated NiONPs is an efficient material for the adsorption of amoxicillin and nortriptyline. [ABSTRACT FROM AUTHOR]

Bromophenol blue is a toxic triphenylmethane dye that is widely used in various industries. The dye-contaminated wastewater released from the industries results in substantial water pollution, causing several health problems and having severe negative consequences for the ecosystem. As a result, its toxic presence in environmental water is a cause for serious concern. Therefore, the removal of wastewater is vital to preserving environmental quality. The adsorption process stands out among several water treatment techniques due to its low cost, efficiency, simplicity, selectivity, and recyclability. Thus, several adsorbents have been applied for the treatment of bromophenol blue-contaminated water via the adsorption technique. This review presents the adsorption of bromophenol blue onto bio-based adsorbents such as biomass, activated carbon, and biochar as well as other potent materials like nanoparticles, polymers, and composite. The isotherm, kinetics, thermodynamics, and mechanism of the adsorption process were all discussed. We also considered the regeneration of the adsorbents and their reusability in the treatment process. Moreover, research gaps in many aspects were discovered, and future research proposals were offered. [ABSTRACT FROM AUTHOR]

In 2013, the World Health Organisation (WHO) updated the recommendations for micronutrient deficiency correction in hospitalised under‐5 children with complicated severe acute malnutrition (SAM). This study aimed to describe the micronutrient deficiency correction practices in relation to WHO 2013 recommendations. Data from medical records of under‐5 children admitted for SAM management at two hospitals in South Africa and three tertiary hospitals in Ghana were extracted. Micronutrient correction practices were compared to the WHO 2013 recommendations by considering the dosage, timing of micronutrient supplementation (vitamin A, iron and folic acid) and therapeutic feeds administered. In total, 723 medical records were included. Nearly half (48.3%) of the children received at least one of the studied micronutrients as a supplement. Vitamin A was supplemented in 27.4% of the children, while iron and folic acid were supplemented in 9.5% and 34.9%, respectively. Among the children who received vitamin A, 60.1% received the first dose on Day 1 of admission. Also, 46.4% of the iron‐supplemented children received iron within the first week of admission. Vitamin A, iron and folic acid were administered within the dose range of 100,000–180,000 IU, 3.1–7.7 mg per kg per day, and 3–5 mg per day, respectively. Additionally, 71.7% of the children reportedly received therapeutic feeds that met WHO recommendations. The micronutrient deficiency correction practices regarding dose and timing differed from the 2013 WHO guidelines. Qualitative studies investigating the reasons for the disparities are recommended. Key messages: Vitamin A supplementation practice among infants and children under 5 years of age hospitalised with complicated severe acute malnutrition (SAM) was not fully based on the World Health Organisation (WHO) 2013 recommendations in some hospitals in Ghana and South Africa. High doses of vitamin A were given irrespective of the therapeutic feeds administered and the presence of deficiency signs.Iron and folic acid supplementation did not follow WHO guidelines for the treatment of complicated SAM in under‐5 children.Higher doses than recommended for both micronutrients were observed. Iron supplementation started in the initial phase of treatment (first week of admission). [ABSTRACT FROM AUTHOR]

Context: The solvation of metal ions is crucial to understanding relevant properties in physics, chemistry, or biology. Therefore, we present solvation enthalpies and solvation free energies of the ferrous ion in water and ammonia. Our results agree well with the experimental reports for the hydration free energy and hydration enthalpy. We obtained - 1888.7 kJ mol - 1 for the hydration free energy and - 1900.7 kJ mol - 1 for the hydration enthalpy of ferrous ion in water at room temperature. At ambient temperature, we obtained - 2065.7 kJ mol - 1 as the F e 2 + ammoniation free energy and - 2124.2 kJ mol - 1 for the ammoniation enthalpy. In addition, the free energy of solvation is deeply affected when the temperature increases. This pattern can be attributed to the rise of entropy when the temperature rises. Besides, the temperature does not affect the ammoniation enthalpies and the hydration enthalpy of the F e 2 + ion. Method: All the geometry optimizations are performed at the MP2 methods associated with the 6-31++g(d,p) basis set of Pople. solvated phase structures of F e 2 + ion in water or in ammonia are performed using the PCM model. The G a u s s i a n 16 program suite was used to perform all the calculations. The program TEMPO was also used to evaluate the temperature sensitivity of the different obtained geometries. [ABSTRACT FROM AUTHOR]

Background: Globally, there is a rising trend in obesity, known to increase morbidity and mortality. Metabolic surgery and adequate weight loss decrease mortality but may worsen pre-existing nutrient deficiencies. Most data on pre-existing nutritional deficiencies in the population undergoing metabolic surgery is from the developed world, where an extensive micronutrient assessment is achievable. In resource-constrained environments, the cost of a comprehensive micronutrient assessment must be weighed against the prevalence of nutritional deficiencies and the potential harm if one or more nutritional deficiencies are missed. Methods: This cross-sectional study investigated the prevalence of micronutrient and vitamin deficiencies in participants scheduled to undergo metabolic surgery in Cape Town, South Africa, a low-middle income country. 157 participants were selected and 154 reported on; who underwent a baseline evaluation from 12 July 2017 to 19 July 2020. Laboratory measurements were conducted, including vitamin B12 (Vit B12), 25-hydroxy vitamin D (25(OH)D), folate, parathyroid hormone (PTH), thyroid-stimulating hormone (TSH), thyroxine (T4), ferritin, glycated haemoglobin (HbA1c), magnesium, phosphate, albumin, iron, and calcium. Results: Participants were predominantly female, aged 45 years (37-51), with a preoperative BMI of 50.4 kg/m² (44.6-56.5). A total of 64 individuals had Type 2 diabetes mellitus (T2D), with 28 undiagnosed cases at study entry (18% of study population). 25(OH)D deficiency was most prevalent (57%), followed by iron deficiency (44%), and folate deficiency (18%). Other deficiencies (vitamin B12, calcium, magnesium, phosphate) were rarely encountered and affected ≤1% of participants. Folate and 25(OH)D deficiency were related to obesity classification, with a higher prevalence in participants with a BMI ≥40 kg/m² (p <0.01). Conclusion: A higher prevalence of some micronutrient deficiencies was noted compared with data from similar populations in the developed world. The minimum baseline/preoperative nutrient evaluation in such populations should include 25(OH)D, iron studies, and folate. Additionally, screening for T2D is recommended. Future efforts should seek to collate broader patient data on a national scale and include longitudinal surveillance after surgery. This may provide a more holistic picture of the relationship between obesity, metabolic surgery and micronutrient status inform more appropriate evidence-based care. [ABSTRACT FROM AUTHOR]

GrayiaGünther 1858 is a genus of relatively large (1.2–2.5 m) aquatic Afrotropical snakes. Recent molecular phylogenies recovered Grayia in its own distinct subfamily (Grayiinae), which was supported as the sister group to Colubrinae. Tropical African snakes are generally understudied, so the relationships within Grayia are poorly known. High degrees of intra- and interspecies variation can make identification difficult, and previous studies involving Grayia included misidentified specimens in other genera. The goal of this study is to create a phylogenetic tree that can be used to understand the relationships and taxonomy of Grayia via an integrative taxonomic approach that combines molecular data for 60 specimens and morphological data for 719 specimens. Two nuclear (BDNF, NT3) and four mitochondrial genes (COI, cyt b, 16S, and ND4) were used to construct phylogenetic trees with Maximum Likelihood and Bayesian Inference algorithms. The phylogenetic trees recovered two clades, Grayia caesar + G. tholloni and G. ornata + G. smythii, which the time-calibrated Bayesian Evolutionary Analysis Sampling Tree (BEAST) analysis estimated to have diverged from each other in the mid-Oligocene. This deep divergence, combined with distinct morphological differences, led us to resurrect the name XenurophisGünther 1863 as a subgenus [G. (Xenurophis) caesar, G. (Xenurophis) tholloni]. Molecular and morphological evidence further supports a new cryptic species of Grayia from the Upper and Middle Congo River and its tributaries. This new species is estimated to have diverged from its nearest sister species, G. ornata, in the Late Miocene—which coincides with the divergence dates of sister taxa within other Central African snake genera. Grayia ornata sensu stricto was found to consist of several evolutionary lineages, which mirror the patterns recovered in other Central African vertebrates. [ABSTRACT FROM AUTHOR]

Through this paper, the authors propose using the quantum cluster equilibrium (QCE) theory to reinvestigate ammonia clusters in the liquid phase. The ammonia clusters from size monomer to hexadecamer were considered to simulate the liquid ammonia in this approach. The clusterset used to model the liquid ammonia is an ensemble of different structures of ammonia clusters. After studious research of the representative configurations of ammonia clusters through the cluster research program ABCluster, the configurations have been optimized at the MN15/6‐31++G(d,p) level of theory. These optimizations lead to geometries and frequencies as inputs for the Peacemaker code. The QCE study of this molecular system permits us to get the liquid phase populations in a temperature range of 190–260 K, covering the temperatures from the melting point to the boiling point. The results show that the population of liquid ammonia comprises mainly the ammonia hexadecamer followed by pentadecamer, tetradecamer, and tridecamer. We noted that the small‐sized ammonia clusters do not contribute to the population of liquid ammonia. In addition, the thermodynamic properties, such as heat of vaporization, heat capacity, entropy, enthalpy, and free energies, obtained by the QCE theory have been compared to the experiment given some relatively good agreements in the gas phase and show considerable discrepancies in liquid phase except the density. Finally, based on the predicted population, we calculated the infrared spectrum of liquid ammonia at 215 K temperature. It comes out that the calculated infrared spectrum qualitatively agrees with the experiment. [ABSTRACT FROM AUTHOR]

Many recent AI policies have been structured under labels that follow a particular trend: national or international guidelines, policies or regulations, such as the EU’s and USA’s ‘Trustworthy AI’ and China’s and India’s adoption of ‘Responsible AI’, use a label that follows the recipe of [agentially loaded notion + ‘AI’]. A result of this branding, even if implicit, is to encourage the application by laypeople of these agentially loaded notions to the AI technologies themselves. Yet, these notions are appropriate only when applied to agents, which current AI technologies are not; and the concern is that this misapplication creates an incentive to inappropriately attribute trustworthiness or responsibility to AI technologies. We endeavour to show that we have good reason to avoid any general AI policy that uses agentially loaded labelling. We suggest labelling these policies not in terms of some qualification of AI, but rather in terms of our approach to the technology and its wider development and use context – focusing on being trustworthy and responsible about AI, rather than on trustworthy or responsible AI. [ABSTRACT FROM AUTHOR]

Lygodactylus is the most speciose gekkonid group in Africa, with several additional, candidate species already identified from previous studies. However, in mainland Africa, several groups remain only partially resolved, and there are several taxonomic inconsistencies. Lygodactylus gutturalis was described from Guinea-Bissau in the 1870s and since then, the species has been recorded from West to East Africa, and it is widely distributed through different biomes and ecoregions. However, this taxon has never been studied in detail. In this work, we use an integrative approach, including molecular phylogenetic analysis, morphometrics, skull osteology, and biogeography to provide the first systematic revision of the L. gutturalis species complex. The L. gutturalis complex is a subgroup within the L. picturatus group and includes nine well-differentiated species. We elevate Lygodactylus gutturalis dysmicus to full species status, recognize Lygodactylus depressus as the sister species to L. gutturalis , describe five new species (Lygodactylus kibera sp. nov. , Lygodactylus karamoja sp. nov. , Lygodactylus mirabundus sp. nov. , Lygodactylus leopardinus sp. nov. and Lygodactylus gamblei sp. nov.), and propose an additional candidate species that requires further research. Also, in order to shed light on some taxonomic inconsistencies between the L. gutturalis and Lygodactylus angularis groups, we revisit the L. angularis group, within which we elevate Lygodactylus angularis heeneni and Lygodactylus angularis paurospilus to full species status. The L. gutturalis subgroup diversified during the Late Miocene (between 5–15 Mya), probably as a consequence of multiple vicariant events driven by the expansion of the African savannahs and the establishment of climatic refugia. [ABSTRACT FROM AUTHOR]

Background: Respiratory viruses significantly impact global morbidity and mortality, causing more disease in humans than any other infectious agent. Beyond pathogens, various viruses and bacteria colonize the respiratory tract without causing disease, potentially influencing respiratory diseases' pathogenesis. Nevertheless, our understanding of respiratory microbiota is limited by technical constraints, predominantly focusing on bacteria and neglecting crucial populations like viruses. Despite recent efforts to improve our understanding of viral diversity in the human body, our knowledge of viral diversity associated with the human respiratory tract remains limited. Methods: Following a comprehensive search in bibliographic and sequencing data repositories using keyword terms, we retrieved shotgun metagenomic data from public repositories (n = 85). After manual curation, sequencing data files from 43 studies were analyzed using EVEREST (pipEline for Viral assEmbly and chaRactEriSaTion). Complete and high-quality contigs were further assessed for genomic and taxonomic characterization. Results: Viral contigs were obtained from 194 out of the 868 FASTQ files processed through EVEREST. Of the 1842 contigs that were quality assessed, 8% (n = 146) were classified as complete/high-quality genomes. Most of the identified viral contigs were taxonomically classified as bacteriophages, with taxonomic resolution ranging from the superkingdom level down to the species level. Captured contigs were spread across 25 putative families and varied between RNA and DNA viruses, including previously uncharacterized viral genomes. Of note, airway samples also contained virus(es) characteristic of the human gastrointestinal tract, which have not been previously described as part of the lung virome. Additionally, by performing a meta-analysis of the integrated datasets, ecological trends within viral populations linked to human disease states and their biogeographical distribution along the respiratory tract were observed. Conclusion: By leveraging publicly available repositories of shotgun metagenomic data, the present study provides new insights into viral genomes associated with specimens from the human respiratory tract across different disease spectra. Further studies are required to validate our findings and evaluate the potential impact of these viral communities on respiratory tract physiology. [ABSTRACT FROM AUTHOR]

Graph-based frames have been introduced as a logical framework which internalises an inherent boundary to knowability (referred to as 'informational entropy'), due, e.g. to perceptual, evidential or linguistic limits. They also support the interpretation of lattice-based (modal) logics as hyper-constructive logics of evidential reasoning. Conceptually, the present paper proposes graph-based frames as a formal framework suitable for generalising Pawlak's rough set theory to a setting in which inherent limits to knowability exist and need to be considered. Technically, the present paper establishes systematic connections between the first-order correspondents of Sahlqvist modal reduction principles on Kripke frames, and on the more general relational environments of graph-based and polarity-based frames. This work is part of a research line aiming at: (a) comparing and inter-relating the various (first-order) conditions corresponding to a given (modal) axiom in different relational semantics; (b) recognising when first-order sentences in the frame-correspondence languages of different relational structures encode the same 'modal content'; (c) meaningfully transferring relational properties across different semantic contexts. The present paper develops these results for the graph-based semantics, polarity-based semantics, and all Sahlqvist modal reduction principles. As an application, we study well known modal axioms in rough set theory (such as those corresponding to seriality, reflexivity, and transitivity) on graph-based frames and show that, although these axioms correspond to different first-order conditions on graph-based frames, their intuitive meaning is retained. This allows us to introduce the notion of hyperconstructivist approximation spaces as the subclass of graph-based frames defined by the first-order conditions corresponding to the same modal axioms defining classical generalised approximation spaces, and to transfer the properties and the intuitive understanding of different approximation spaces to the more general framework of graph-based frames. The approach presented in this paper provides a base for systematically comparing and connecting various formal frameworks in rough set theory, and for the transfer of insights across different frameworks. [ABSTRACT FROM AUTHOR]

Malignant myopericytoma is an exceedingly rare soft tissue tumour with only 14 documented cases in the scientific literature. Myopericytomas can occur in association with HIV-AIDS and have a predilection for internal organs such as the bronchus, larynx, liver and brain. Ebstein-Barr virus encoded small RNA(EBER) was positive in three out of 14 cases. In this case report we present the second documented case of a malignant myopericytoma, with a positive EBER found intracranially – specifically in the supratentorial compartment – invading the superior sagittal sinus. Gross total excision of the tumour was achieved, and the patient responded well with no recurrence with only highly active antiretroviral therapy (HAART). No chemotherapy or radiotherapy has been necessary. [ABSTRACT FROM AUTHOR]

The growing interest in synthesizing electrochemically active organic ligands stems from extensive reports highlighting the applications of redox‐active organic molecules. These molecules play a crucial role in capturing and converting CO2 into valuable organic compounds, including carbonates used as solvents in lithium batteries. In this study, we present an electrochemical investigation of two chalcone derivatives, referred to as (1) and (2). We explored the influence of different solvent systems, specifically acetonitrile and dimethyl sulfoxide, on the reduction potential of these chalcones. The reported chalcone derivatives were characterized using various analytical techniques, including UV/Visible spectroscopy, Fourier Transform Infrared spectroscopy, Proton and Carbon‐13 nuclear magnetic resonance, as well as mass spectrometry. The characterization of the reported chalcones, exhibiting properties of both β‐diketones and 2‐hydroxyphenones, is underscored by a density functional theory (DFT) study of chalcones (1) and (2). This research establishes a correlation between the energies calculated through DFT and the experimental reduction potentials of chalcones (1) and (2), in comparing them with a series of β‐diketones and 2‐hydroxyphenones. [ABSTRACT FROM AUTHOR]

A 7‐month‐old male French bulldog was referred for abnormal mentation and gait. Physical examination revealed a dome shaped calvarium and persistent bregmatic fontanelle. Neurological examination revealed proprioceptive ataxia, pelvic limb paraparesis and strabismus with moderate ventriculomegaly, thinning of the cerebral parenchyma, and widened cerebral sulci on magnetic resonance imaging. Masses were identified in the region of the thyroid, which appeared heterogeneous and hyperintense in T1‐weighted and T2‐weighted compared with the adjacent muscle signal masses were identified. Radiological diagnosis was hydrocephalus "ex vacuo" and goiter. Blood test revealed abnormally low total thyroxine (TT4), free thyroxine (FT4), and normal thyrotropin concentration. A diagnosis of congenital hypothyroidism was confirmed by positive genetic test for thyroid peroxidase mutation. Thyroxine supplementation treatment rapidly improved clinical signs. [ABSTRACT FROM AUTHOR]

Biochars have received much attention as efficient adsorbents for water pollutants. Besides, the chemical treatment of biochars performed to increase the adsorption capacity usually causes secondary chemical pollution and increases the cost of the process. The biomass feedstock utilised in biochar preparation impacts significantly the surface properties and adsorption capacity. Thus, the need to prepare new biochars from new feedstock with potentially high uptake capacities. Herein, we prepared new biochar (POBC) from Platanus occidentalis waste leaves (POL), which was utilised for the ultrasonic-aided adsorption of bromophenol blue (BRB) and thiazolyl blue tetrazolium bromide (TTB). The FTIR, SEM, EDX, TGA, BET, pHpzc, and elemental characterisations of POBC revealed potent surface characteristics desirable for efficient dye adsorption. An increase in the surface area from 14.31 m2/g to 31.94 m2/g and the pore volume from 0.0214 cm3/g to 0.0326 cm3/g was obtained after the conversion of the POL to POBC. Besides, the SEM images of POBC revealed a highly porous surface structure of the adsorbent. The Freundlich and pseudo-second-order model presented the best fit to the isotherm and kinetics based on the high coefficient of determination (R2 > 0.9) and low sum square errors (SSE < 0.31). The heterogeneous surface nature of POBC was inferred from the independent-oriented site model. The monolayer adsorption capacity of 45.03 mg/g and 48.8 mg/g were obtained for BRB and TTB, respectively. Thermodynamics showed an endothermic, feasible, and random uptake, and POBC displayed efficient potentials to be reused. The obtained results revealed that novel POBC is an efficient low-cost biochar with high adsorption capacity for dyes. [ABSTRACT FROM AUTHOR]

Promoting smallholders' sustainable development in Africa means addressing agronomic and economic factors but also highly relevant social influences shaping farmers' production and affecting household well-being. Holistic, integrated analyses can help to meet this need, informing more effective policies and interventions for smallholder farming systems. The authors apply a transdisciplinary, quantitative approach to analyzing social impacts in the smallholder context, using milk-producing crop-livestock family farms in central Madagascar as a test case. First, stochastic frontier analysis is leveraged to confirm education as a social indicator linked to production efficiency. Then, linear regression is used for exploratory modeling of children's educational outcomes. Findings from the Malagasy case emphasize the influence of rural infrastructure, parental education, chronic poverty, family planning, and crop-livestock diversification on children's educational outcomes among one region's farming households. Taken together, results suggest that Madagascar's policymakers should consider comprehensive territorial planning for simultaneously promoting agricultural development and human well-being. This study illustrates how a transdisciplinary approach to social impacts analysis can integrate agronomic, economic, and social dynamics and help anticipate potential outcomes in support of smallholders' sustainable development. [ABSTRACT FROM AUTHOR]

There has been an increasing awareness of the importance of physician mental health. Several South African studies show a high prevalence of burnout among doctors. Burnout is characterised by three components: exhaustion, depersonalisation, and a sense of a lack of efficacy. Burnout is a result of both external and internal pressures. While lifestyle modification is essential, mindfulness-informed programmes promote self-regulation and resilience. Mindfulness programmes comprise three components: present moment awareness, perspective-taking and wisdom, and compassion. Physician wellness begins with individuals recognising the need of self-care and giving themselves permission to prioritise this. Ongoing identification of self-care needs and acting compassionately to address these needs is essential. [ABSTRACT FROM AUTHOR]

Background: Illicit substance use is common at music festivals. One could question whether festival attendees deliberately plan to take drugs at such events or whether their illicit (poly)drug use is provoked by specific circumstances, such as the presence of peers or a general belief that others are using drugs at the festival. Objectives: The present study implemented the prototype willingness model, which is a model that assesses whether illicit drug use at music festivals is rather a rational or a more spontaneous decision-making process. Results: A three-wave panel survey was conducted, questioning festival attendees before (n = 304, 60.86% males), during, and after music festival visits. In total, 186 people (59.68% males) between 18 and 55 years (M = 27.80 years; SD = 8.19) completed all three surveys, of which 62.9% had taken one or more different illicit substances at the festival. Positive attitudes toward illicit drug consumption were most firmly related to attendees' intentions to take drugs at festivals. Additionally, the more festival visitors identified themselves with the prototype of an attendee using drugs, the more likely they were to be willing to use them. The perceived presence of illicit substances at such events was also strongly related to the actual behavior. Conclusion: The findings suggest that illicit drug use at music festivals relates to both a rational choice and an unplanned one. [ABSTRACT FROM AUTHOR]

For practical reasons, assessments of species' vulnerability to rising temperatures are often limited to measuring responses to a single ecological response variable, but this could result in an underestimation of vulnerability. Using the Cape Rockjumper Chaetops frenatus ('Rockjumper') we examined the thermal risk to nestling Rockjumpers for sublethal (i.e. reduced nestling mass gain) and lethal (i.e. increased nest predation) consequences of sustained hot weather under both current and predicted future climatic conditions (RCP 8.5). We used a direct approach to examine these risks, first as independent ecological responses and then as combined risk driven by both response variables (mass gain and predation risk). This study revealed that the inclusion of multiple climate‐related responses affected the predicted vulnerability to climate change. Further, our analyses showed that increased vulnerability to climate change will vary within the Rockjumper's habitat. Our results demonstrate that the variability in predicted thermal risk depends on which response variable was used, with implications for how and where conservation practitioners direct their already limited resources. [ABSTRACT FROM AUTHOR]

Context: It has been reported that photoexcitation of azastilbene compounds like E-1,2-bispyrazinyl-ethylene (bpe) can undergo E → Z photoisomerization of its quaternary salts via the excited triplet state. However, experimentally it is possible to get low fluorescence and photoisomerisation quantum yields in a state with higher internal conversion than intersystem crossing. We modelled bpe and its methylated derivative (bpeMe), as well as its quaternary halogen salts (bpeMeX with X = F−, Cl−, Br− and I−) to study levels of fluorescence, phosphorescence and excited state potential energy surfaces (PES). Results support experimental observations of molecules where the anion of a salt is an efficient electron donor, that molecules with weak electron-donating anions like Cl− to give increased fluorescence and photoisomerization, as compared to molecules with stronger electron-donating anions like I−, which are dominated by competing electron transfer. The fluorescence of bpeMeF and bpeMeCl was found to be stronger than bpeMeBr and bpeMeI. A deep well in the triplet excited state of bpeMeI is considered responsible for the decreased photoisomerization, compared to what was experimentally observed for bpeMeCl. Uniquely, the bpeMeI molecule is characterised by near-zero splitting of the s1 and t1 excited states that can enhance charge transfer. The quaternary salt of bpeMe with stronger electron-donating Br− anion was observed to undergo fluorescence and phosphorescence at much lower energy compared to those with weak electron-donating F− and Cl− anions. This research shows how to control the excited state fluorescence, phosphorescence and isomerization of quaternary halogen salts of methyl derivatives of 1,2-bispyrazinyl-ethylene, which aids experimental design where excited state isomerization is considered. Methods: Geometry optimization, molecular electrostatic potential (MESP), and time dependent density functional theory (TDDFT) calculations were conducted utilizing Gaussian 16 with the B3LYP functional and the 6–31 + G(d,p) basis set. The minimum energy path (MEP) for the E to Z isomerization of the molecules was established employing the Nudged-Elastic-Band (NEB) method, implemented in Orca 4.2. Precise energies of the E → Z isomerization reaction path were determined employing CASSCF and a more accurate multireference method, NEVPT2. [ABSTRACT FROM AUTHOR]

Recent biological surveys of ancient inselbergs in southern Malawi and northern Mozambique have led to the discovery and description of many species new to science, and overlapping centres of endemism across multiple taxa. Combining these endemic taxa with data on geology and climate, we propose the 'South East Africa Montane Archipelago' (SEAMA) as a distinct ecoregion of global biological importance. The ecoregion encompasses 30 granitic inselbergs reaching > 1000 m above sea level, hosting the largest (Mt Mabu) and smallest (Mt Lico) mid-elevation rainforests in southern Africa, as well as biologically unique montane grasslands. Endemic taxa include 127 plants, 45 vertebrates (amphibians, reptiles, birds, mammals) and 45 invertebrate species (butterflies, freshwater crabs), and two endemic genera of plants and reptiles. Existing dated phylogenies of endemic animal lineages suggests this endemism arose from divergence events coinciding with repeated isolation of these mountains from the pan-African forests, together with the mountains' great age and relative climatic stability. Since 2000, the SEAMA has lost 18% of its primary humid forest cover (up to 43% in some sites)—one of the highest deforestation rates in Africa. Urgently rectifying this situation, while addressing the resource needs of local communities, is a global priority for biodiversity conservation. [ABSTRACT FROM AUTHOR]

The need for low-cost and efficient biosorbent materials for the decontamination of heavy metal polluted water is important to abate the toxic effects on humans and the environment. Therefore, the present research reports the adsorption of cadmium ions from an aqueous solution onto alkaline-treated coconut shell (Alk-CCS) powder as a low-cost potential biosorbent. The biosorbent was characterized by SEM, XRD, FTIR, and EDX. Batch biosorption experiments were used to determine the effect of pH, time, temperature, dosage, and concentration on biosorption. The isotherm, kinetic, and thermodynamic modelling of the process was performed. The optimum condition for the adsorption of Cd2+ onto Alk-CCS was a pH of 6.4, adsorbent dosage of 0.2 g, and a contact time of 30 min. Moreover, a maximum monolayer adsorption capacity of 14.22 mg/g was obtained from the Langmuir model for Cd2+ adsorption. From the nonlinear isotherm and kinetics analysis, cadmium ions adsorption on Alk-CCS followed the pseudo-second-order model involving chemical interactions, while the Sips model best fitted the isotherm evaluation. According to the satisfactory fitting to the Sips isotherm model, the adsorption could not be best fitted to the classical adsorption isotherm models such as Langmuir and Freundlich. Thermodynamic parameters indicated that the adsorption of Cd ions on Alk-CCS was feasible, spontaneous (negative value of ∆G°), and exothermic (negative value of ∆H°). Moreover, the nonlinear modelling showed that alkaline modified coconut shell powder is a viable and efficient adsorbent for the removal of cadmium ions from polluted water. [ABSTRACT FROM AUTHOR]

Recent biological surveys of ancient inselbergs in southern Malawi and northern Mozambique have led to the discovery and description of many species new to science, and overlapping centres of endemism across multiple taxa. Combining these endemic taxa with data on geology and climate, we propose the 'South East Africa Montane Archipelago' (SEAMA) as a distinct ecoregion of global biological importance. The ecoregion encompasses 30 granitic inselbergs reaching > 1000 m above sea level, hosting the largest (Mt Mabu) and smallest (Mt Lico) mid-elevation rainforests in southern Africa, as well as biologically unique montane grasslands. Endemic taxa include 127 plants, 45 vertebrates (amphibians, reptiles, birds, mammals) and 45 invertebrate species (butterflies, freshwater crabs), and two endemic genera of plants and reptiles. Existing dated phylogenies of endemic animal lineages suggests this endemism arose from divergence events coinciding with repeated isolation of these mountains from the pan-African forests, together with the mountains' great age and relative climatic stability. Since 2000, the SEAMA has lost 18% of its primary humid forest cover (up to 43% in some sites)—one of the highest deforestation rates in Africa. Urgently rectifying this situation, while addressing the resource needs of local communities, is a global priority for biodiversity conservation. [ABSTRACT FROM AUTHOR]

The aim of the study was to investigate whether the content of Corporate Social Responsibility (CSR) messages predicts communication outcomes in South African nonprofit organisations (NPOs). The study found a positive association between CSR message content and CSR communication outcomes. Additionally, CSR message content in nonprofit organisations is positively linked to their CSR communication outcomes. Furthermore, support for community-related activities positively impacts CSR communication outcomes, thereby explaining the correlation between CSR message content and communication effectiveness. The study lays the groundwork for non-profit organisations seeking optimisation of their CSR messaging to achieve a wider socio-economic impact on the public at large. These results underscore the importance for nonprofit organisations to strategically develop CSR messages that highlight their support for community-related activities. By emphasising such content in their communication efforts, organisations can enhance their CSR communication outcomes, potentially fostering stronger relationships with stakeholders and garnering increased support for their initiatives. [ABSTRACT FROM AUTHOR]

Asymptomatic primary hyperparathyroidism (PHPT) is often missed in developing nations due to limited formal healthcare exposure and biochemical screening programs. Many patients are thus only diagnosed once symptomatic. We present a 32-year-old female who developed bony protrusions in her jaw during pregnancy, resulting in a stillbirth. Three months later, during a dental consultation for worsening toothache, jaw abnormalities were detected. Radiological studies revealed bilateral mandibular radiolucent lesions, and bone biopsy confirmed histological features consistent with a brown tumor. These findings raised concerns about underlying PHPT, which was confirmed with a markedly elevated parathyroid hormone level in the presence of significant hypercalcemia. Further examination revealed impaired renal function, normal urine calcium excretion, and bilateral nephrocalcinosis. Low bone mineral density was measured with dual-energy X-ray absorptiometry, and conventional radiology identified additional low-density bony lesions in keeping with brown tumors. A parathyroid MIBI confirmed the presence of a singular parathyroid adenoma. A vague but possible family history, the patient's young age, and the severe renal and skeletal involvement prompted genetic testing. A cell division cycle 73 (CDC73) pathogenic variant, in keeping with primary hyperparathyroidism jaw tumor syndrome, was identified. [ABSTRACT FROM AUTHOR]

Background: The need for rehabilitation in low-to-middle income countries (LMICs) is rapidly increasing as more people are living longer with chronic diseases. Primary health care (PHC) is ideally placed to provide the spectrum of care required to meet most of the complex and evolving population's health needs locally. This study aimed to describe the patient journeys of adults attending primary care in the Eastern Cape province of South Africa to understand the factors that affected their access to primary care rehabilitation services (or the lack thereof) and obtain suggestions on how rehabilitation may be enhanced at primary care. Methods: A maximum variation sampling approach was used to purposefully select persons with varied chronic health conditions and demographic characteristics to gain diverse perspectives regarding their rehabilitation needs and ways in which the current rehabilitation services at primary care may be enhanced. Data were collected via face-to-face semi-structured interviews between March and June 2022 which were electronically recorded. Inductive thematic analysis of transcribed data was done and coded in Atlas.ti.22®. Results: Twenty-five adult patients participated in the study. The patients had different experiences at their local PHC facilities that affected their access to rehabilitation at primary care. The study found that most patients were not able to access rehabilitation at primary care. There were several personal and contextual factors that resulted in the patients having a low perceived need to receive rehabilitation that potentially lowered patients' demand for and utilization of rehabilitation at primary care. Patients suggested increasing rehabilitation workforce at primary care, improving availability of assistive devices, increasing their knowledge regarding rehabilitation, and facilitating socio-economic integration into their communities. Conclusions: Patients attending primary care are not guaranteed access to rehabilitation by virtue of having entered the PHC system. It is important to consider the patient perspectives regarding their health needs and suggestions for enhancing care. [ABSTRACT FROM AUTHOR]

This article investigates to what extent technological affordances are associated with people's preference for video streaming platforms over traditional television services. Such affordances refer to properties of these platforms (including personalized recommendations and easy-to-navigate interfaces) that provoke certain uses of the technology and satisfy social and psychological needs. Based on a quantitative study of 25–50-year-olds in Belgium (N = 596) and a hierarchical regression analysis, the study builds further on the conceptualization of technological affordances as presented in the MAIN model, which suggests that four affordances (Modality, Agency, Interactivity and Navigability) are central to digital media technology. As such, the study presents an affordance-based measure of video streaming platforms, and helps to understand how video streaming technology shapes new patterns of audiovisual consumption and enhances the viewing experience beyond that of traditional television. Whereas most research attention has focused on user-oriented gratifications of video streaming platforms, this study addresses a gap in the literature by dealing with platform-oriented gratifications of video streaming platforms. [ABSTRACT FROM AUTHOR]

Context: Micro-hydration of the aminobenzoic acid is essential to understand its interaction with surrounding water molecules. Understanding the micro-hydration of the aminobenzoic acid is also essential to study its remediation from wastewater. Therefore, we explored the potential energy surfaces (PESs) of the para-aminobenzoic acid-water clusters, ABW n , n = 1 - 10 , to study the microsolvation of the aminobenzoic acid in water. In addition, we performed a quantum theory of atoms in molecules (QTAIM) analysis to identify the nature of non-covalent bondings in the aminobenzoic acid-water clusters. Furthermore, temperature effects on the stability of the located isomers have been examined. The located structures have been used to calculate the hydration free energy and the hydration enthalpy of the aminobenzoic acid using the cluster continuum solvation model. The hydration free energy and the hydration enthalpy of the aminobenzoic acid at room temperature are evaluated to be −7.0 kcal/mol and −18.1 kcal/mol, respectively. The hydration enthalpy is in perfect agreement with a previous experimental estimate. Besides, temperature effects on the calculated hydration enthalpy and free energy are reported. Finally, we calculated the gas phase binding energies of the most stable structures of the ABW n clusters using twelve functionals of density functional theory (DFT), including empirical dispersion. The DFT functionals are benchmarked against the DLPNO-CCSD(T)/CBS. We have found that the three most suitable DFT functionals are classified in the following order: PW6B95D3 > MN15 > ω B97XD. Therefore, the PW6B95D3 functional is recommended for further study of the aminobenzoic acid-water clusters and similar systems. Methods: The exploration started with classical molecular dynamics simulations followed by complete optimization at the PW6B95D3/def2-TZVP level of theory. Optimizations are performed using Gaussian 16 suite of codes. QTAIM analysis is performed using the AIMAll program. [ABSTRACT FROM AUTHOR]

Biochars are efficient materials for the adsorption of water pollutants. Moreover, the modification of biochars might enhance the adsorption potentials but increase the process cost. Therefore, the search for low-cost unmodified biochars with high adsorption capacity is needed. In this study, we prepared new biochar (PLBC) from low-cost Populus nigra leaves for oil sorption, in an attempt to search for unmodified biochar with high uptake capacity. The biochar was prepared by low-temperature pyrolysis at 350 °C in other to maintain a low process cost. The sorbent characterization revealed the presence of functional groups and surface pores on PLBC desirable for the sorption of oil. A decrease in the surface area of the biochar from 36.82 to 18.55 m2/g, the pore volume from 0.0372 to 0.0152 cm3/g, and the pore diameter from 4.434 to 3.276 nm was obtained after oil sorption. Elemental analysis of PLBC showed carbon content of 55.9% and a biochar yield of 58.6%. PLBC exhibited an oil uptake capacity of 4.634 g/g. The Freundlich and Pseudo-second-order models provided the best fit to the isotherm and kinetic evaluations, respectively, with the involvement of the intraparticle diffusion mechanism. Thermodynamics revealed a physicochemical, endothermic, feasible, and spontaneous oil uptake onto PLBC. High oil desorption (<92.5%) was achieved using petroleum ether as eluent, and PLBC exhibited good potentials for reuse. These investigations revealed the potential of PLBC as a viable low-cost sorbent for the treatment of oil spills. [ABSTRACT FROM AUTHOR]

Context: Bis(terpyridine)manganese(III) exhibits Jahn–Teller distortion due to the inequivalent occupation of the degenerate eg orbitals of this high-spin d4 pseudo octahedral complex. Due to the spatially constrained nature of the terpyridine ligand, the central Mn-N bonds will always be shorter than the Mn-N terminal bonds, making it more difficult to distinguish between compression and elongation Jahn–Teller structures for bis(terpyridine)manganese(III). Density functional theory (DFT) calculations were utilized as a tool to evaluate the type of Jahn–Teller distortion in the high-spin d4 bis(terpyridine)manganese(III). The nature of the Jahn–Teller distortion calculated does depend upon the choice of density functional approximation (DFA) with the B3LYP, M06, and OLYP-D3 DFAs giving compression and the PW6B95D3, MN15, and MN15-D3 DFAs giving elongation in gas-phase calculations. All solvent-phase calculations yield an elongated structure for the bis(terpyridine)manganese(III) compound, which is yet to be structurally characterized experimentally. However, both gas and solvent OLYP-D3 calculations result in a compressed structure for the only experimentally isolated and characterized bis(terpyridine)manganese(III) complex, specifically the complex with terpyridine = 4′-(4-methylphenyl)-2,2′:6′,2′′-terpyridine. This alignment with the experimentally observed compression Jahn–Teller structure enhances the credibility of OLYP-D3 calculations in reproducing the observed geometries. The compressed Jahn–Teller geometries were near D2d symmetry with the z-axis for compression defined along the Mn-N central bonds. Elongation Jahn–Teller distortion is not possible along the Mn-N central bonds, due to their spatially constrained nature. Thus, elongation occur along one pair of opposite Mn-N terminal bonds that are longer than the other pair of opposite terminal bonds, with shorter central bonds. The highest symmetry of the elongation Jahn–Teller distortion geometry of bis(terpyridine)manganese(III) is C2v. Criteria to distinguish between a compression and elongation Jahn–Teller geometry for bis(terpyridine)manganese(III) are identified. The nature of the singly occupied eg molecular orbital, exhibiting anti-bonding interaction with the nitrogen-p MOs involved, dictates the type of Jahn–Teller distortion that occurs. The low-energy occupied bonding t2g molecular orbitals establish bonds with and undergo mixing with the ligand molecular orbitals. The OLYP-D3 functional is recommended for calculating bis(terpyridine)manganese(III) and related compounds due to its consistent generation of metal–ligand bonds slightly longer than observed in experiments, in line with the required behavior. Additionally, OLYP-D3 offers a realistic electronic structure for Jahn–Teller distorted bis(terpyridine)manganese(III), correctly identifying alpha eg molecular orbitals as the highest occupied molecular orbital and lowest unoccupied molecular orbital in agreement with experimental electrochemical studies. Furthermore, OLYP-D3 accurately reproduces the experimental compression geometry for the only structurally known bis(terpyridine)manganese(III) compound, instilling confidence in its reliability for such calculations. Methods: DFT geometry optimization and frequency calculations were done on the two different modes of Jahn–Teller distortion of bis(terpyridine)manganese(III), using the OLYP, B3LYP, M06, PW6B95D3, and MN15 functionals, with and without the Grimme's D3 dispersion correction, and the 6-311G(d,p) or def2TZVPP basis set, as implemented in Gaussian 16. All optimizations were in the gas phase and also in the solvent phase with CH3CN as implicit solvent using IEFPCM. DFT calculations were utilized to determine the Jahn–Teller effect on the geometry of high-spin d4 bis(terpyridine)manganese(III) complex containing two structurally constrained tridentate ligands. [ABSTRACT FROM AUTHOR]

In a bid to develop efficient biochars, we prepared new biochar by the pyrolysis of Ipomoea batatas feedstock for the ultrasonic-aided adsorption of eriochrome black T (EBT) and celestine blue (CB) dyes. The characterisation of the Ipomoea batatas-derived biochar (IBBC) showed potent functional groups, good thermal stability, porous structure and a point of zero charge of 6.41. The pH of 2.0 and 7.0 was found to be optimum for the uptake of anionic EBT and cationic CB onto IBBC, respectively. A decrease in the surface area of IBBC from 96.35 m2/g to 48.43 m2/g and 32.11 m2/g was obtained after the adsorption of EBT and CB, respectively. Thermogravimetric analysis revealed high thermal stability of IBBC up to 350°C. The Energy dispersive X-ray (EDX) spectrum revealed carbon (52.6%), oxygen (24.5%) and potassium (7.1%) as the major component of the biochar. The elemental analysis showed carbon, hydrogen and nitrogen compositions of 55.4%. 2.6% and 1.2%, respectively. Moreover, a biochar yield of 36.2% was obtained. The adsorption of both dye molecules was well correlated by the Freundlich isotherm, supported by the Scatchard model analysis. Kinetics was well fitted to the film diffusion and pseudo-second-order models, while thermodynamics showed an endothermic and spontaneous dye uptake on IBBC. The adsorption capacity of the biochar for EBT and CB was 59.24 mg/g and 63.69 mg/g respectively. Percentage desorption of 87.5% for EBT and 82.3% for CB was achieved during regeneration of the dye-loaded biochar. Moreover, IBBC showed good potentials to be reused for adsorption. The results revealed the potentials of the novel biochar for efficient adsorption of both cationic and anionic dye species. [ABSTRACT FROM AUTHOR]

The prominent benefit of granite is owned to its physicochemical property and ubiquitous nature. Vast application of granite which also includes its use as an adsorbent in environmental remediation practice, can also be enhanced. To further enhanced the uptake capacity of granite, nanocomposite consisting of multiwall carbon nanotubes (MWCNTs) and granite was fabricated and further modified using Dialiumguineensestem bark extract. The structure and composition of pristine granite (PG) and modified nanocomposite granite (G) based material were examined and confirmed by the FTIR, Raman, TGA, SEM and XRD. Meanwhile, the specific surface areasof PG (1.268 m2/g) and G (16.57 m2/g) were obtained using the BET surface area analyser. The optimization step revealed that the uptake capacities of PG and G were dependent on solution pH, sorbent dose and contact time. Meanwhile, pseudo-second-order and Elovich kinetic models were noticed to best describe the data for the removal of Cr (VI) by PG and G. Equilibrium isotherm study revealed that Freundlich and Langmuir models fitted well to the experimental data obtained for the uptake of Cr(VI) onto PG and G respectively. Furthermore, electrostaticattraction betweentheDialiumguineense stem bark extract on the surface of G and Cr(VI) influenced the uptake of Cr(VI). On the other hand, the interaction between the plant extract and Cr(VI) may result in the attenuation of Cr(VI) via reduction to Cr(III). Finally, the thermodynamically favoured adsorptive process demonstrated high adsorbent reusability with good stability for Cr(VI) uptake. [ABSTRACT FROM AUTHOR]

Despite its potential importance, the computational chemistry of adsorption processes for wastewater treatment has received negligible attention. Exploring the literature shows several limitations in applying quantum chemistry to study adsorption processes in wastewater treatment. The choice of suitable functionals of density functional theory (DFT) is one of the critical limits of the current application of quantum chemistry in wastewater treatment. Therefore, in this work, we performed a benchmark study of sixteen DFT functionals (including dispersions) to select the most suitable one. The def2-TZVP basis set has been used with the sixteen DFT functionals. The sixteen DFT functionals are benchmarked to the CCSD(T)/CBS level of theory. We used four different pollutants (p-aminobenzoic acid, aniline, p-chloro phenol, and phenol) adsorbed on coronene to perform this benchmarking. In addition to the coronene and the pollutant, four explicit water molecules are used to consider the environmental effects. The results show that the functional MN15 and PW6B95-D3 have the lowest mean absolute deviation relative to the CCSD(T)/CBS adsorption energies. Overall, the functionals MN15, PW6B95-D3, ωB97X-V, M05-2X-D3, M05-D3, and M06-2X-D3 are recommended for studying the adsorption processes. [ABSTRACT FROM AUTHOR]

First‐time‐in‐human (FTIH) trials are designed to generate information on the safety, tolerability, as well as the pharmacokinetic and pharmacodynamics profile of new drugs. To ensure the safety of participants, these trials need to be conducted at specifically equipped phase I clinical trial units (CTUs). In accordance with the International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use (ICH) Guideline for Good Clinical Practice (GCP) and the European Union (EU) regulatory guidelines, one of the aims of the European Regime Accelerator for Tuberculosis (ERA4TB) project is to collaboratively create a feasibility tool, through a partnership between public and private entities, for the validation of CTUs selected to conduct FTIH trials. A feasibility form, encompassing nine sections, was created to gather information on the unit in relation to key attributes of FTIH trials. Collaboratively, industry and academic partners defined the minimal criteria to ensure the adherence of CTUs to the principles of ICH GCP and regulations outlined by the European Medicines Agency (EMA) for the execution of FTIH trials. Subsequently, all CTUs available for the project were assessed for FTIH trial eligibility. The introduction of the certification procedure through the feasibility tool within ERA4TB resulted in the accreditation of the five academic CTUs, which are now prepared to carry out FTIH trials as part of the Consortium. The developed feasibility tool aims to establish open and widely used minimum requirements for the validation of academic CTUs as FTIH units, marking it as the inaugural tool for CTU validation resulting from the collaboration between industry and academia within the ERA4TB project. The established partnership has enabled an innovative and novel way of working. [ABSTRACT FROM AUTHOR]

Context: The search for highly efficient adsorbent materials remains a significant requirement in the field of adsorption for wastewater treatment. Computational study can highly contribute to the identification of efficient material. In this work, we propose a computational approach to study the adsorption of four cationic basic dyes, basic blue 26 (BB26), basic green 1 (BG1), basic yellow 2 (BY2), and basic red 1 (BR1), onto two models of graphene oxide as adsorbents. The main objectives of this study are the assessment of the adsorption capacity of the graphene oxide towards basic dyes and the evaluation of the environmental and temperature effects on the adsorption capacity. Quantum theory of atoms in molecules (QTAIM) analysis has been used to understand the interactions between the dyes and graphene oxides. In addition, adsorption free energies of the dyes onto graphene oxides are calculated in gas and solvent phases for temperatures varying from 200 to 400 K. As a result, the adsorption free energy varies linearly depending on the temperature, highlighting the importance of temperature effects in the adsorption processes. Furthermore, the results indicate that the environment (through the solvation) considerably affects the calculated adsorption free energies. Overall, the results show that the two models of graphene oxide used in this work are efficient for removing dyes from wastewater. Methods: We have optimized the complexes formed by the interaction of dyes with graphene oxides at the PW6B95-D3/def2-SVP level of theory. The SMD solvation model realizes the implicit solvation, and water is used as the solvent. Calculations are performed using the Gaussian 16 suite of program. QTAIM analysis is performed using the AIMAll program. Gibbs free energies as function of temperature are calculated using the TEMPO program. [ABSTRACT FROM AUTHOR]

Interactions between humans and smart products (i.e. digital components integrated in physical Internet of Things devices) are becoming more complex and less visible. Yet designers lack tools to capture these interactions and incorporate them into their design. In this paper we present the Human-Computer-Context Interaction (HCCI) tool that helps the designer to consider the different interactions of the user early in the conceptualisation phase, in order to eventually improve the user experience for smart products. This tool introduces 5 relevant interaction levels to be considered, when defining the context-of-use. In this paper we assess the use of the tool by means of a design challenge with a total of 34 industrial design students, given the task to design a smart kitchen concept. The tool was evaluated by a mixed method approach. Results show that the tool was evaluated as useful and usable during the early concept phase of the design of smart products. Unsupported concepts typically envisioned a single user interacting with one object through explicit interactions. Hence, tool-supported designs were more holistic and better captured interactions with other objects, users, content and services. From this we conclude that the tool can help to detect possible pitfalls of design selections. The tool is aimed to be used in a new product development process by HCI researchers, designers, and developers and is technology independent. Based on observations and participant feedback, we reflect on the strengths and limitations of this tool. [ABSTRACT FROM AUTHOR]

We describe a competitive colorimetric assay that enables rapid and sensitive detection of galactose and reduced nicotinamide adenine dinucleotide (NADH) via colorimetric readouts and demonstrate its usefulness for monitoring NAD+-driven enzymatic reactions. We present a sensitive plasmonic sensing approach for assessing galactose concentration and the presence of NADH using galactose dehydrogenase-immobilized gold nanostars (AuNS-PVP-GalDH). The AuNS-PVP-GalDH assay remains turquoise blue in the absence of galactose and NADH; however, as galactose and NADH concentrations grow, the reaction well color changes to a characteristic red color in the presence of an alkaline environment and a metal ion catalyst (detection solution). As a result, when galactose is sensed in the presence of H2O2, the colored response of the AuNS-PVP-GalDH assay transforms from turquoise blue to light pink, and then to wine red in a concentration-dependent manner discernible to the human eye. This competitive AuNS-PVP-GalDH assay could be a viable analytical tool for rapid and convenient galactose quantification in resource-limited areas. [ABSTRACT FROM AUTHOR]

This study investigates the capacity of spent self-indicating silica gels modified with Harpephyllumcaffrum(wild plum) stem bark extract to remove hexavalent chromium from wastewater. The physicochemical properties of the adsorbents were assessed using FESEM, FTIR, PXRD, TGA and BET surface analyser. The batch adsorption technique was used to examine the capacity of spent self-indicating silica gel (SIPP) and modified spent self-indicating silica gel (SIP) to eliminate Cr(VI) from the aqueous solution. The uptake capacity of the sorbents was noticed to increase with increasing adsorbent dose, contact time and initial concentration of Cr(VI). On the contrary, the potential of SIPP and SIP were observed to decline with increasing solution pH, similarly as found for most Cr(VI) absorbents. However, the uptake capacity of the SIPP and SIP were noticed to be optimum at 0.05 g adsorbent dosage and 180 min contact time. Meanwhile, the kinetic behaviour of SIPP and SIP in the removal of Cr(VI) was best described by the Elovich kinetic model. Furthermore, the uptake of Cr(VI) onto SIP and SIPP was sufficiently described by the three-parameter isotherm Sips and Freundlich isotherms respectively. The Cr(VI) adsorption was endothermic, entropy-driven, and feasible. The application of Harpephyllum caffrumstem bark extract on SIPP as Cr(VI) adsorbent was significant and the reusability of the adsorbent portrayed the capacity of SIP to adapt to a full-scale wastewater treatment practice. [ABSTRACT FROM AUTHOR]

Background: Globally, there is a rising trend in obesity, known to increasemorbidity and mortality. Metabolic surgery and adequate weight loss decrease mortality but may worsen pre-existing nutrient deficiencies. Most data on pre-existing nutritional deficiencies in the population undergoing metabolic surgery is from the developed world, where an extensive micronutrient assessment is achievable. In resourceconstrained environments, the cost of a comprehensive micronutrient assessment must be weighed against the prevalence of nutritional deficiencies and the potential harm if one or more nutritional deficiencies are missed. Methods: This cross-sectional study investigated the prevalence of micronutrient and vitamin deficiencies in participants scheduled to undergo metabolic surgery in Cape Town, South Africa, a low-middle income country. 157 participants were selected and 154 reported on; who underwent a baseline evaluation from 12 July 2017 to 19 July 2020. Laboratory measurements were conducted, including vitamin B12 (Vit B12), 25-hydroxy vitamin D (25(OH)D), folate, parathyroid hormone (PTH), thyroid-stimulating hormone (TSH), thyroxine (T4), ferritin, glycated haemoglobin (HbA1c), magnesium, phosphate, albumin, iron, and calcium. Results: Participants were predominantly female, aged 45 years (37-51), with a preoperative BMI of 50.4 kg/m² (44.6-56.5). A total of 64 individuals had Type 2 diabetes mellitus (T2D), with 28 undiagnosed cases at study entry (18% of study population). 25(OH)D deficiency was most prevalent (57%), followed by iron deficiency (44%), and folate deficiency (18%). Other deficiencies (vitamin B12, calcium, magnesium, phosphate) were rarely encountered and affected ≤1% of participants. Folate and 25(OH)D deficiency were related to obesity classification, with a higher prevalence in participants with a BMI ≥40 kg/m² (p <0.01). Conclusion: A higher prevalence of some micronutrient deficiencies was noted compared with data from similar populations in the developed world. The minimum baseline/preoperative nutrient evaluation in such populations should include 25(OH)D, iron studies, and folate. Additionally, screening for T2D is recommended. Future efforts should seek to collate broader patient data on a national scale and include longitudinal surveillance after surgery. This may provide a more holistic picture of the relationship between obesity, metabolic surgery and micronutrient status inform more appropriate evidence-based care. [ABSTRACT FROM AUTHOR]

Background. Varied assessment strategies are required in the process of deciding whether a surgeon is competent to graduate. Despite doubts about the reliability of the oral examination and the challenges of standardising examiner practices, the oral examination remains an important assessment method in surgical exit examinations. Structured oral examinations may facilitate the measurement of course outcomes. Objectives. To explore the experiences of surgical trainees and examiners using a video-assisted, mock, structured oral examination (SOE) as an assessment tool. Methods. This descriptive study incorporated procedural videos in a case-based SOE format. One group of trainees had face-to-face contact with the examiner, and the other was assessed on an online platform, e.g. Microsoft Teams, with a remote examiner. After the SOE, a focus group interview was conducted with surgical trainees and individual interviews with examiners. Results. Themes were developed from the interview transcripts. These themes centred around the use of videos in this examination format and technical issues during the SOE. Further themes highlighted the standardisation of questions and preparation of examiners. Conclusion. Overall, procedural videos as part of the mock SOE were experienced as valuable. Adding video recordings to the online platform posed administrative and technical challenges. However, the trainees and the examiners could log in from peripheral clinical training sites, which was experienced as an advantage. This study provides a glimpse into the application of procedural videos during SOEs as an assessment tool from the perspective of surgical trainees and examiners. Efforts should focus on standardisation of the examination format, optimising technical issues and improving examiner preparation. [ABSTRACT FROM AUTHOR]

Metal oxide nanoparticles are prospective materials for wastewater treatment because of their natural abundance, low cost, and potent textural characteristics. Among metal oxide nanoparticles, manganese dioxide nanoparticles (MnO2NPs) are promising due to the associated structural flexibility, environmentally friendly nature, good stability, and high activity. However, there is a dearth of research on the use of MnO2NPs as adsorbents for water pollutants. In this work, MnO2NPs were synthesized by a green technique using the aqueous leaf extract of Populus nigra for the adsorption of nortriptyline antidepressant and celestine blue dye. The FTIR, XRD, SEM, EDX, TGA, BET, and pHpzc characterizations revealed the successful synthesis of MnO2NPs, possessing potent surface characteristics. The maximum adsorption capacity of 33.94 mg/g and 60.31 mg/g was obtained for the adsorption of nortriptyline and celestine blue, respectively. Optimum adsorption conditions of pH 7.0, concentration 50 mg/L, and sonication time of 60 min for nortriptyline and 180 min for celestine blue were maintained. The isotherm, kinetic, and thermodynamic evaluation revealed the participation of various processes in the adsorption of the pollutants on MnO2NPs. Moreover, MnO2NPs were successfully regenerated with ethanol and reused for adsorption over five cycles. The findings proved that MnO2NPs are promising materials for the efficient decontamination of nortriptyline and celestine blue from wastewater, especially for the dye pollutant. [ABSTRACT FROM AUTHOR]

In this work, we have investigated the electronic, optoelectronic, optical, and thermodynamic properties of the parent molecules diphenanthro [3,4,5,6-efghi:3′,4′,5′,6′-uvabc]ovalene (C48H18), tribenzo[jk,mn,pq]dibenzo [5,6:7,8] pentapheno [2,1,14,13,12-stuvabcd] ovalene (C60H22), and its derivatives formed by through functionalization with chlorine and potassium atoms. All calculations were performed using Density Functional Theory (DFT) (HSE, ωB97XD, and CAM-B3LYP) and time-dependent density functional theory (TD-DFT), associated with the 6-31G(d) basis set. The results show that the molecules functionalized with potassium atoms have small gap energy values, which gives them good applications in electronics. These same molecules present a non-centrosymmetric architecture with a first hyperpolarizability value higher than that of the reference molecule for nonlinear optics, which is the paranitroaniline molecule. The high values of the average electric field, of the susceptibility, of the refractive index, and the small value of the dielectric constant of the molecules functionalized with potassium allow us to say that these molecules have good optoelectronic and photonic applications. [ABSTRACT FROM AUTHOR]

Superficial CD34 positive fibroblastic tumor is a rare low-grade neoplasm of the skin and subcutis with indolent behavior. This entity has been included in the current World Health Organisation (WHO) classification of soft tissue tumors. Pathological diagnosis can be challenging due to significant morphological overlap with other entities and the large spectrum of CD34 positive tumors. We report a case in a twenty-five male which showed characteristic diagnostic features, but in addition showed myxoid stroma. The presence of myxoid stroma has not been previously emphasized in this entity and broadens the histologic differential diagnosis significantly to include myxoid soft tissue tumors. A subset of these tumors harbor PRDM10 -rearrangements, but a defining molecular feature has not yet been described, highlighting the need for further molecular characterization of this potentially genetically heterogenous tumor. Awareness of this entity among surgeons and pathologists is important to prevent misclassification as an aggressive sarcoma and avoid over-treatment. [ABSTRACT FROM AUTHOR]

Rigorously accounting for mutual coupling effects in antenna array synthesis, generally requires that embedded element patterns (EEPs) be determined. The method of moments (MoM) is typically used. Multiple linear system solutions are required, corresponding to every excitation vector associated with an EEP. This paper presents the direct coupling technique (DCT) to obtain the MoM solution for arrays with disjoint elements, by iteratively solving a series of localized subproblems, one associated with each array element. It utilizes a physics‐based, direct‐coupling approximation to incorporate global coupling into the local problems. Local matrices do not change between iterations or with excitation vectors, hence they can be inverted as a preprocessing step, allowing for efficient solution of multiple excitation configurations. Numerical results demonstrate rapid convergence. The convergence rate can be controlled via local problem domain sizing. Since the DCT is ideally suited to parallelization, it is applicable to very large arrays. [ABSTRACT FROM AUTHOR]

Background: Each year, 1 million children develop TB resulting in over 200,000 child deaths. TB preventive treatment (TPT) is highly effective in preventing TB but remains poorly implemented for household child contacts. Home-based child contact management and TPT services may improve access to care. In this study, we aim to evaluate the effectiveness and cost-effectiveness of home-based contact management with TPT initiation in two TB high-burden African countries, Ethiopia and South Africa. Methods: This pragmatic cluster randomized trial compares home-based versus facility-based care delivery models for contact management. Thirty-six clinics with decentralized TB services (18 in Ethiopia and 18 in South Africa) were randomized in a 1:1 ratio to conduct either home-based or facility-based contact management. The study will attempt to enroll all eligible close child contacts of infectious drug-sensitive TB index patients diagnosed and treated for TB by one of the study clinics. Child TB contact management, including contact tracing, child evaluation, and TPT initiation and follow-up, will take place in the child's home for the intervention arm and at the clinic for the control arm. The primary outcome is the cluster-level ratio of the number of household child contacts less than 15 years of age in Ethiopia and less than 5 years of age in South Africa initiated on TPT per index patient, comparing the intervention to the control arm. Secondary outcomes include child contact identification and the TB prevention continuum of care. Other implementation outcomes include acceptability, feasibility, fidelity, cost, and cost-effectiveness of the intervention. Discussion: This implementation research trial will determine whether home-based contact management identifies and initiates more household child contacts on TPT than facility-based contact management. Trial registration: NCT04369326. Registered on April 30, 2020. [ABSTRACT FROM AUTHOR]