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Enhancing hydrogen sulphide removal efficiency: A DFT study on selected functionalized graphene-based materials

In response to the escalating demand for cleaner energy sources, this study investigates the potential of carefully selected functionalized graphene-based materials for enhancing hydrogen sulphide (H2S) removal in fuel streams, utilizing semi-empirical and density functional theory (DFT) calculations for molecular-level insights. A particular focus is placed on aliphatic methyl (-CH), alcohol (-COH), carboxylate (-COO), carbonyl (-CO), and acid (-COOH) -functionalized graphene, aiming to bridge gaps between desulphurization methods and graphene applications, specifically targeting H2S removal. Through extensive computational analyses, the research unravels the intricate interactions between chosen functionalized graphene materials and sulfur compounds like H2S, emphasizing mechanisms contributing to improved desulphurization efficiency. Our study's analysis highlights the superior performance of carboxylate (-COO)-functionalized graphene, mainly through dissociative adsorption mechanisms. The study systematically evaluates the influence of selected functional groups on adsorption activity, emphasizing the significance of dissociation. Overall, this research advances desulphurization strategies and underscores the potential of functionalized graphene in sustainable energy solutions.

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Mixed Convection Heat Transfer Characteristics of Al2O3 – MWCNT Hybrid Nanofluid under Thermally Developing Flow; Effects of Particles Percentage Weight Composition

In this research, an experimental investigation of hybrid nanofluid mixed convection heat transfer characteristics is conducted. The research specifically investigates the effects of percentage weight composition (PWC) of nanoparticles in the hybrid nanofluids on mixed convection heat transfer characteristics along the lamina, transition and turbulent regions. Transition boundaries, thermal entrance effects, and the influence of tube axial position were also critically investigated and analysed experimentally. Three hybrid nanofluids of Al2O3 – MWCNT (i.e., Al2O3 (60%) – MWCNT (40%), Al2O3 (50%) – MWCNT (50%) and Al2O3 (40%) – MWCNT (60%)) were prepared using two-step method and then subjected to a constant heat flux through a horizontal circular copper tube with an internal diameter of 8mm. Results show a significant change in heat transfer characteristics with different PWCs. Al2O3 (60%) – MWCNT (40%) have shown a better heat transfer enhancement among the three fluids investigated. Its Nusselt number has an enhancement of more than 5 % better than the other two fluids. Along the transition regime, critical Reynold numbers (Recr) of the three nanofluids were found to have differed slightly, with Recr = 2020, 2000 and 2100 for Al2O3 (60%) – MWCNT (40%), Al2O3 (50%) – MWCNT (50%) and Al2O3 (40%) – MWCNT (60%) respectively. Mixed convection effects were found to be more significant with Al2O3 (60%) – MWCNT (40%) than with the other two fluids. At the axial position of 63.75, its mixed convection strength (Ὠ) was about 41%, which is the highest among the three fluids. Its strength of mixed convection was also found to deteriorate to about 14.75% with an increase in axial distance from the tube inlet. A similar observation was also noticed with other fluids. Thermal entrance effects were only found to be significant at x/d = 15 and 31.25, as their influence diminishes with an increased x/d distance from the tube inlet. It was concluded that both mixed convection and thermal entrance effects resulted in heat transfer enhancement, especially in the lamina region. Their influences decrease with an increase in axial distance from the tube inlet. Mixed convection influences were only present in the lamina and transition region, and their strength was reduced with an increase in Reynold number and axial position.

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Experimental investigations of effects of nanoparticle size on force convective heat transfer characteristics of Al2O3 - MWCNT hybrid nanofluids in transitional flow regime

This study reports an experimental investigation of nanoparticle sizes effects on the heat transfer characteristics of hybrid nanofluids along the transitional flow regime. Four different particle sizes were used to prepare hybrid nanofluids of Al2O3 and MWCNT (i.e., 5 nm and 20 nm for Al2O3 and <7 nm and 30–50 nm for MWCNT nanoparticles). Three hybrid nanofluids with different particle combinations (i.e., Al2O3(5 nm) – MWCNT (<7 nm), Al2O3(20 nm) – MWCNT(<7 nm) and Al2O3(20 nm) – MWCNT (30–50 nm)) at a percentage weight composition (PWC) of 60:40 and 0.3 volume concentration were prepared. Results showed that particle sizes significantly affected the convective heat transfer characteristics of the nanofluids. Along the transition region, all three fluids were found to have different critical Reynold numbers 1152, 1172, and 1898 for Al2O3(20 nm) – MWCNT (<7 nm), Al2O3(5 nm) – MWCNT (<7 nm) and Al2O3(20 nm) – MWCNT (30–50) respectively. Al2O3(20 nm) – MWCNT (<7 nm) have shown better heat transfer performances. Its Nusselt number shows an enhancement of about 48.86 % along the transition region. And its coefficient of thermal performance (COP) was better than that of Al2O3(20 nm) – MWCNT (30–50 nm) and Al2O3(5 nm) – MWCNT (<7 nm) with 43.53 % and 21.89 %, respectively. While its friction factor and pressure drop were lower than that of Al2O3(5 nm) – MWCNT (<7 nm) nanofluid by 5.2 % and 12.78 %. It was concluded that for a 60:40 hybrid nanofluid of Al2O3 and MWCNT, particle sizes have influenced heat transfer characteristics and affected other flow characteristics along the transition regime.

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Rising cases of MRSA infection in neonates- a major concern and a call for action.

Abstract Introduction:Neonatal sepsis is still a global health concern as it contributes to high burden of neonatal morbidity and mortality especially in developing countries. The aim of the study is to give an insight into neonatal sepsis: risk factors, sepsis types, clinical features, pathogen burden with their antibiotic sensitivities and outcome of admission in our facility. Methodology: This was a prospective hospital-based study involving term neonates suspected of having sepsis conducted over 10 months, October 2018-July 2019. Sociodemographic information and clinical characteristics were gathered using a structured questionnaire. Venous blood samples were obtained for complete blood count (CBC) and blood culture. MicrobactTM 24E (Oxoid UK) and Staph ID kits were utilized to identify the organisms based on manufacturer guidelines. Antimicrobial susceptibility testing (AST) was conducted using the modified Kirby-Bauer disk diffusion method. Data analysis was performed using SPSS version 22 and results were presented in tabular format. Result: Of the 248 term neonates with features of sepsis were enrolled into the study, out of which 94 (37.9%) were confirmed to have sepsis. Late-onset sepsis LOS (68%) was found to be the most common and most of the neonates were delivered elsewhere. Clinical features were non-specific for both early-onset (EOS) and LOS and include fever, jaundice, poor suck and depressed primitive reflexes. Infections were mostly caused by the gram-negative bacteria and Staphylococcus aureusis the single most common isolate for both EOS and LOS. Antibiotic sensitivity is highest with ciprofloxacin for both EOS and LOS. Mortality is high 14.9% and is mostly contributed to by Staphylococcus aureus infection. Conclusion:Neonatal sepsis is still a burden with mostly non-specific clinical features. The local prevalent organisms are Staphylococcus aureus, Enterobacter agglomerans and Klebsiella pneumonia with good antibiotic susceptibility to ciprofloxacin. Most presented with late onset-sepsis and therefore infection is likely to be community-acquired which to a great extent can be prevented with robust public health interventions.

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Romanian Bee Product Analysis: Chemical Composition, Antimicrobial Activity, and Molecular Docking Insights.

Bee products are considered true wonders of nature, used since ancient times, and studied even today for their various biological activities. In this study, we hypothesise that Romanian bee products from different origins (micro apiary products, lyophilised forms, commercial) exhibit distinct chemical compositions, influencing their biological activities. An LC-MS analysis revealed varied polyphenolic content patterns, with cumaric acid, ferulic acid, rosmarinic acid, and quercitine identified in significant amounts across all samples. Primary anti-inflammatory evaluation phases, including the inhibition of haemolysis values and protein denaturation, unveiled a range of protective effects on red blood cells (RBC) and blood proteins, contingent upon the sample concentration. Antimicrobial activity assessments against 12 ATCC strains and 6 pathogenic isolates demonstrated varying efficacy, with propolis samples showing low efficacy, royal jelly forms displaying moderate effectiveness, and apilarnin forms exhibiting good inhibitory activity, mostly against Gram-positive bacteria. Notably, the lyophilised form emerged as the most promising sample, yielding the best results across the biological activities assessed. Furthermore, molecular docking was employed to elucidate the inhibitory potential of compounds identified from these bee products by targeting putative bacterial and fungal proteins. Results from the docking analysis showed rosmarinic and rutin exhibited strong binding energies and interactions with the putative antimicrobial proteins of bacteria (-9.7 kcal/mol to -7.6 kcal/mol) and fungi (-9.5 kcal/mol to -8.1 kcal/mol). The findings in this study support the use of bee products for antimicrobial purposes in a biologically active and eco-friendly proportion while providing valuable insights into their mechanism of action.

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Psychophysiological Adaptations to Exercise Training in COVID-19 Patients: A Systematic Review.

Many COVID-19 patients display adverse symptoms, such as reduced physical ability, poor quality of life, and impaired pulmonary function. Therefore, this systematic review is aimed at evaluating the effectiveness of physical exercise on various psychophysiological indicators among COVID-19 patients who may be at any stage of their illness (i.e., critically ill, hospitalized, postdischarge, and recovering). A systematic search was conducted in PubMed, Scopus, ScienceDirect, Web of Science, and Google Scholar from 2019 to 2021. Twenty-seven studies, which assessed a total of 1525 patients, were included and analysed. Overall, data revealed significant improvements in the following parameters: physical function, dyspnoea, pulmonary function, quality of life (QOL), lower limb endurance and strength, anxiety, depression, physical activity level, muscle strength, oxygen saturation, fatigue, C-reactive protein (CRP), interleukin 6 (IL-6), tumour necrosis factor-alpha (TNF-α), lymphocyte, leukocytes, and a fibrin degradation product (D-dimer). Physical training turns out to be an effective therapy that minimises the severity of COVID-19 in the intervention group compared to the standard treatment. Therefore, physical training could be incorporated into conventional treatment of COVID-19 patients. More randomized controlled studies with follow-up evaluations are required to evaluate the long-term advantages of physical training. Future research is essential to establish the optimal exercise intensity level and assess the musculoskeletal fitness of recovered COVID-19 patients. This trial is registered with CRD42021283087.

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