Spherical and Rod-shaped Gold Nanoparticles for Surface Enhanced Raman Spectroscopy

Raman Spectroscopy offers an in-situ, rapid, and non-destructive characterization tool for chemical analysis of diverse samples with no or minimal preparation. However, due to the inherent weak signal of conventional Raman spectroscopy, surface plasmon resonance features of noble metal nanoparticles have been utilized to conduct Surface Enhanced Raman Spectroscopy (SERS) in detecting trace label contaminants in foods and foodstuffs. In this effort, we synthesized gold nanoparticles (AuNPs) by reduction of chloroauric acid (HAuCl4) with sodium citrate dehydrate. We prepared different sizes of AuNPs at a fixed temperature (100 oC) but with varying pHs of 4 and 8. The as-synthesized AuNPs were characterized by UV-Vis spectroscopy, dynamic light scattering (DLS), and Field Emission Scanning Electron Microscopy (FE-SEM). FE-SEM micrographs revealed spherical AuNPs with an average diameter of approx. 55 nm and rod-shaped AuNPs with an average length of approx. 170 nm for sample synthesis at pH 8 and 4, respectively. The effectiveness of the as-prepared AuNPs for SERS is tested by detecting Rhodamine 6G diluted at a trace level. This study suggests that plasmonic nanoparticles coupled with SERS have great potential for broad applications in detecting other trace amounts of hazardous chemicals in foods and foodstuffs.Comment: 4 pages, 5 figure

Solid-state Synthesis of Phase Pure CuBi2O4 by Sequential Ball Milling

Bismuth-based metal oxides are an intriguing class of photoelectrode materials that can potentially enable large-scale solar hydrogen production via photoelectrochemical (PEC) water-splitting. For realizing such PEC devices, Kusachiite (copper bismuth oxide) is one of the most promising photocathode materials for high solar to hydrogen efficiency. Here we attempt to synthesize phase pure copper bismuth oxide (CuBi2O4) nanopowders using a facile solid-state reaction technique subsequently sintered at 750 0C for 4 h in air. These CuBi2O4 (CBO) powders have been further sequentially ball milled (SBM) up to 25 h to elucidate the milling duration effect on the optical bandgap of the ball milled CuBi2O4 (SBM-CBO). The structural, optical, and Raman studies suggest that phase pure tetragonal CBO could be grown from raw CuO and Bi2O3 powders. The variations in morphology and chemical composition of CBO with increasing milling hours were examined using field emission scanning electron microscopy (FE-SEM) and Energy Dispersive X-ray (EDX) microanalysis, respectively. The optical bandgap was measured in the range of 1.70 - 1.85 eV from the UV-VIS-NIR Diffuse reflection data of SBM-CBO powders. The CBO photocathode materials with variable structural and optical properties could be a promising candidate for self-sustained PEC generation of hydrogen fuel.Comment: 4 pages, 5 figures, 2022 4th International Conference on Sustainable Technologies for Industry 4.0 (STI

Convalescent plasma in patients admitted to hospital with COVID-19 (RECOVERY): a randomised controlled, open-label, platform trial

SummaryBackground Azithromycin has been proposed as a treatment for COVID-19 on the basis of its immunomodulatoryactions. We aimed to evaluate the safety and efficacy of azithromycin in patients admitted to hospital with COVID-19.Methods In this randomised, controlled, open-label, adaptive platform trial (Randomised Evaluation of COVID-19Therapy [RECOVERY]), several possible treatments were compared with usual care in patients admitted to hospitalwith COVID-19 in the UK. The trial is underway at 176 hospitals in the UK. Eligible and consenting patients wererandomly allocated to either usual standard of care alone or usual standard of care plus azithromycin 500 mg once perday by mouth or intravenously for 10 days or until discharge (or allocation to one of the other RECOVERY treatmentgroups). Patients were assigned via web-based simple (unstratified) randomisation with allocation concealment andwere twice as likely to be randomly assigned to usual care than to any of the active treatment groups. Participants andlocal study staff were not masked to the allocated treatment, but all others involved in the trial were masked to theoutcome data during the trial. The primary outcome was 28-day all-cause mortality, assessed in the intention-to-treatpopulation. The trial is registered with ISRCTN, 50189673, and ClinicalTrials.gov, NCT04381936.Findings Between April 7 and Nov 27, 2020, of 16 442 patients enrolled in the RECOVERY trial, 9433 (57%) wereeligible and 7763 were included in the assessment of azithromycin. The mean age of these study participants was65·3 years (SD 15·7) and approximately a third were women (2944 [38%] of 7763). 2582 patients were randomlyallocated to receive azithromycin and 5181 patients were randomly allocated to usual care alone. Overall,561 (22%) patients allocated to azithromycin and 1162 (22%) patients allocated to usual care died within 28 days(rate ratio 0·97, 95% CI 0·87–1·07; p=0·50). No significant difference was seen in duration of hospital stay (median10 days [IQR 5 to >28] vs 11 days [5 to >28]) or the proportion of patients discharged from hospital alive within 28 days(rate ratio 1·04, 95% CI 0·98–1·10; p=0·19). Among those not on invasive mechanical ventilation at baseline, nosignificant difference was seen in the proportion meeting the composite endpoint of invasive mechanical ventilationor death (risk ratio 0·95, 95% CI 0·87–1·03; p=0·24).Interpretation In patients admitted to hospital with COVID-19, azithromycin did not improve survival or otherprespecified clinical outcomes. Azithromycin use in patients admitted to hospital with COVID-19 should be restrictedto patients in whom there is a clear antimicrobial indication

Groundwater Vulnerability Mapping in Faisalabad District Using GIS Based Drastic Model

The demand of groundwater has significantly increased during the past two decades to meet the food and fiber requirements due to constrained surface irrigation water. The groundwater has a major share to grow agriculture in Punjab-Pakistan, which produces more than 90% gains of the country. Beside the importance of groundwater, a major concern in recent years is the contamination of groundwater. The consecutive monitoring and mapping of aquifer water quality in large areas is a hectic job and not even economically feasible. Thus groundwater vulnerability maps are becoming more in demands to represents regional aquifer contamination potential. The aim of this research work was to find out the groundwater vulnerability potential zones in Faisalabad and its nearby areas, which is the fastest growing city of Pakistan. For this purpose, GIS based DRASTIC model was used to measure vulnerability related to agriculture in Faisalabad district. The inputs of the model are based on seven different layers. The results of the model were compared with groundwater samples. It was found that the DRASTIC model accurately identified the vulnerability of Faisalabad District with prediction efficiency of about 73%. The results revealed that more than 30% of study area was under high vulnerability potential. The areas under high vulnerable pollution are located in middle and upper part of Faisalabad District. The high vulnerable pollution in surrounding of Salarwala, Chak Jhumra and Khurianwala cities was due to shallow groundwater table, high recharge, gradual slope, sandy aquifer media and soil media consist of medium sand. The high vulnerable pollution in surrounding of Dijkot city was due to shallow groundwater table, gradual slope, vadose zone consist of course sand and high hydraulic conductivity. It is therefore recommended that Rainwater harvesting and ASR (Aquifer Storage and Recovery Wells) should be adopted in medium and high vulnerability areas to reduce water salinity

Groundwater Vulnerability Mapping in Faisalabad District Using GIS Based Drastic Model

The demand of groundwater has significantly increased during the past two decades to meet the food and fiber requirements due to constrained surface irrigation water. The groundwater has a major share to grow agriculture in Punjab-Pakistan, which produces more than 90% gains of the country. Beside the importance of groundwater, a major concern in recent years is the contamination of groundwater. The consecutive monitoring and mapping of aquifer water quality in large areas is a hectic job and not even economically feasible. Thus groundwater vulnerability maps are becoming more in demands to represents regional aquifer contamination potential. The aim of this research work was to find out the groundwater vulnerability potential zones in Faisalabad and its nearby areas, which is the fastest growing city of Pakistan. For this purpose, GIS based DRASTIC model was used to measure vulnerability related to agriculture in Faisalabad district. The inputs of the model are based on seven different layers. The results of the model were compared with groundwater samples. It was found that the DRASTIC model accurately identified the vulnerability of Faisalabad District with prediction efficiency of about 73%. The results revealed that more than 30% of study area was under high vulnerability potential. The areas under high vulnerable pollution are located in middle and upper part of Faisalabad District. The high vulnerable pollution in surrounding of Salarwala, Chak Jhumra and Khurianwala cities was due to shallow groundwater table, high recharge, gradual slope, sandy aquifer media and soil media consist of medium sand. The high vulnerable pollution in surrounding of Dijkot city was due to shallow groundwater table, gradual slope, vadose zone consist of course sand and high hydraulic conductivity. It is therefore recommended that Rainwater harvesting and ASR (Aquifer Storage and Recovery Wells) should be adopted in medium and high vulnerability areas to reduce water salinity

Recent Advances in Genomics-Based Approaches for the Development of Intracellular Bacterial Pathogen Vaccines

Infectious diseases continue to be a leading cause of morbidity and mortality worldwide. The majority of infectious diseases are caused by intracellular pathogenic bacteria (IPB). Historically, conventional vaccination drives have helped control the pathogenesis of intracellular bacteria and the emergence of antimicrobial resistance, saving millions of lives. However, in light of various limitations, many diseases that involve IPB still do not have adequate vaccines. In response to increasing demand for novel vaccine development strategies, a new area of vaccine research emerged following the advent of genomics technology, which changed the paradigm of vaccine development by utilizing the complete genomic data of microorganisms against them. It became possible to identify genes related to disease virulence, genetic patterns linked to disease virulence, as well as the genetic components that supported immunity and favorable vaccine responses. Complete genomic databases, and advancements in transcriptomics, metabolomics, structural genomics, proteomics, immunomics, pan-genomics, synthetic genomics, and population biology have allowed researchers to identify potential vaccine candidates and predict their effects in patients. New vaccines have been created against diseases for which previously there were no vaccines available, and existing vaccines have been improved. This review highlights the key issues and explores the evolution of vaccines. The increasing volume of IPB genomic data, and their application in novel genome-based techniques for vaccine development, were also examined, along with their characteristics, and the opportunities and obstacles involved. Critically, the application of genomics technology has helped researchers rapidly select and evaluate candidate antigens. Novel vaccines capable of addressing the limitations associated with conventional vaccines have been developed and pressing healthcare issues are being addressed

Computational and theoretical chemistry of newly synthesized and characterized 2,2’-(5,5’-(1,4-phenylene)bis(1H-tetrazole-5,1-diyl))bis-N-acetamides

Abstract Energetic heterocycles, including pyridines, triazoles, and tetrazoles, exhibit greater density, heats of formation, and oxygen balance compared to their carbocyclic counterparts, making them a promising approach for synthesizing novel bis-tetrazole acetamides. Synthesized compounds A-F, some of which feature a chlorine atom attached to the phenyl ring, serve as valuable synthons for aryl coupling reactions. Analysis via 1H-NMR and 13C-NMR spectroscopy, as well as density functional considerations through B3LYP functional correlation with 6-311 +  + G(d) and 6-31G(d) basis set, revealed the observed LUMO/HOMO energies and charge transfer within the molecule. Additionally, the dipole moment, chemical hardness, softness, ionization potential, local reactivity potential via Fukui indices and thermodynamic properties (entropy, enthalpy, and Gibbs free energy) of the molecule were calculated through density functional theory studies. In addition, Molecular Docking studies were conducted to investigate the anti-cancer potential of synthesized heterocyclic compounds against caspase 3, NF-KAPPA-B and P53 protein. Molecular docking analysis demonstrated a potent interaction between 2,2’-(5,5’-(1,4-phenylene)bis(1H-tetrazole-5,1-diyl))bis-N-(2,4-dinitrophenyl) acetamides (6d) and TP53 and NF-KAPPA-B with binding energies of − 11.8 kJ/mol and − 10.9 kJ/mol for TP53 and NF-KAPPA-B, respectively. Similarly, 2,2’-(5,5’–(1,4-phenylene)bis(1H-tetrazole-5,1-diyl))bis-N-(2-chlorophenyl) acetamides (6f) exhibited a strong interaction with caspase-3 with binding energy of -10.0 kJ/mol, indicating their potential as therapeutic agents against these proteins. Furthermore, the findings of current study was further strengthen by 100 ns molecular dynamics (MD) simulations. Finally, theoretical studies of oxygen balance and nitrogen percentage suggest that these molecules can be utilized as energetic materials. Graphical Abstrac