Phytochemical Study: Molecular Docking of Eugenol Derivatives as Antioxidant and Antimicrobial Agents
Letters in Organic Chemistry, 2022
: Eugenol (4-allyl-2-methoxyphenol) is a natural phenolic compound present in certain aromatic pl... more : Eugenol (4-allyl-2-methoxyphenol) is a natural phenolic compound present in certain aromatic plants; however, it is generally extracted from the essential oil of Eugenia caryophyllata (Syzygiumaromaticum) (L.) Merr. and L.M. Perry. This bioactive natural compound has generated considerable biological interest with well-known antimicrobial and antioxidant actions. This study aimed at evaluating eugenol derivatives as antimicrobial and antioxidant agents with the aid of molecular dynamic simulation. The starting material was extracted from cloves using hydrodistillation. Two eugenol derivatives, acetyleugenol (4-allyl-2-methoxyphenylacetate) and epoxyeugenol 4-(2,3- Epoxypropyl)-2-methoxyphenol, were prepared and tested against two strains Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus). The results have revealed that the three compounds (eugenol, acetyleugenol, and epoxyeugenol) possess important potentials for inhibition against E. coli and S. aureus. The antioxidant activity of eugenol derivatives was evaluated by reacting with DPPH (1,1- diphenyl-2-picrylhydrazyl), and it was reported that the epoxyeugenol was the most active compound. The molecular docking scores of three compounds and the amino acids in the active site pockets of the selected proteins of the two bacteria have approved and explained the biological experimental outcomes.
Effect of vinylene carbonate electrolyte additive and battery cycling protocol on the electrochemical and cyclability performance of silicon thin-film anodes
This study is aimed at developing an anaerobic digestion system, optimized for economic manufactu... more This study is aimed at developing an anaerobic digestion system, optimized for economic manufacture and suited to the climate conditions in rural Sudan, which can efficiently produce biogas for cooking purposes at the household level. A lab-scale batch digester was designed and constructed using polypropylene material with a capacity of 20 liters, and with the biogas captured in a floating-top gas reservoir. This initial small-scale construction was mainly to study some important parameters of the anaerobic fermentation process. The parameters studied were: biogas production from various types of organic material, the levels of acidity and dry matter of the organic material, the affect of temperature within the container, along with an evaluation of the time scale and rate of gas production. Four types of organic material were used: fresh and dry cow dung with dry matter content of 20% and 90% respectively, chicken manure with dry matter content of 95%, and food waste with dry matte...
An investigation of the magnetization of water and its influence on the solubility of Monoammonium Phosphate
Physica Scripta, 2021
Fertilization is one of the essential techniques in agriculture. Monoammonium Phosphate (MAP) is ... more Fertilization is one of the essential techniques in agriculture. Monoammonium Phosphate (MAP) is the most widely used in the field of soil fertilization. The effectiveness of MAP in the field of fertigation, depends on its solubility in water. Three experimental factors such as MAP content, magnetization time, and water type were taken into account to optimize the experimental factors for a large value of Total Dissolved Solids (TDS). In our study, we chose the complete factorial model by the Minitab software, 9 experiments (3*3). The TDS is clearly influenced by the type of water, followed by magnetization time and finally the MAP content. The percentage contribution of water type, magnetization time (tm), and MAP content on the TDS was 68%, 17%, 4%, respectively. The optimal balance of factors for a value of TDS large was 16% MAP, 10 min water magnetization, and type of water (Tap water). The outcomes of this paper can encourage farmers to adopt more environmentally friendly farmi...
Background and Aim: Contamination of processed meat by chemicals, either by their addition for en... more Background and Aim: Contamination of processed meat by chemicals, either by their addition for enhancing the product quality or as a result of contamination during the manufacturing process, is a crucial food safety issue that threatens human health. This research was conducted to estimate the contamination levels by harmful chemical contaminants, including nitrite, lead, cadmium, and phosphate in the Egyptian processed meats. Materials and Methods: In our study, 20 samples of each frozen sausage, pastirma, and luncheon were collected and prepared for the detection of chemical contaminants, including nitrite, lead, cadmium, phosphorus, and phosphate. Results: Pastirma showed the highest nitrite and lead levels (163.65±22.633 and 0.805±0.173 ppm) and the lowest levels in phosphorus and phosphate (2.294±0.19 and 9.084±0.755 g/kg) whereas sausage recorded the highest concentration of cadmium (0.073±0.008 ppm), phosphorus and phosphate (13.268±1.129 and 52.54±4.472 g/kg, respectively). ...
British Journal of Applied Science & Technology, 2016
Removing deposits is one of the most important maintenance activities that applied to irrigation ... more Removing deposits is one of the most important maintenance activities that applied to irrigation canal. This research aims to study experimentally the effect of different flow conditions such as discharge and water depth on removing sand by using jet pump. To achieve this goal, an experimental program was set up and a small prototype of jet pump was tested under different conditions. The flow discharge, water depth and sand type were related to sand remove by the jet pump. Forty five runs were applied on the physical model built in the hydraulic lab of the Channel Maintenance Research Institute, National Water Research Center, Egypt. It was found that both of water depth and discharge of open channel had no direct effect on jet pump efficiency. The efficiency of jet pump was mainly affected by soil gradation. Finally, it is recommended to use jet pump in limited maintenance work where the soil is loose.
A superior hybrid fuel cell vehicle solution for congested urban areas
2014 IEEE 23rd International Symposium on Industrial Electronics (ISIE), 2014
This paper presents a promising solution to the problem of the bad environmental impacts and the ... more This paper presents a promising solution to the problem of the bad environmental impacts and the high operating cost of the Internal Combustion Engine (ICE) gasoline powered vehicles. In Toronto, the capital of Ontario, the traffic jam is becoming a regular flavor of every day's commute that make the driving pattern featured with low speed and a lot of stops and goes. This driving pattern increases the pollution problem that already exists due to the large number of vehicles in Toronto streets and reduces the lifetime of the engine and the brakes leading to a more running cost. This study investigates the performance of a hybrid Fuel Cell (FC)/battery vehicle configuration, which is considered as one of the most promising clean vehicles in comparison with the traditional ICE vehicles. In this study, a model of an ICE mid-size vehicle was developed and validated against experimental acceleration tests. The ICE vehicle model was modified by replacing the ICE power-train with a FC and battery power-train while keeping the other vehicle parameters the same. A comparison between ICE and hybrid FC/battery vehicle configurations was conducted using a representative alignment load cycle in Toronto. It was found that the hybrid FC/battery configuration is much better than the ICE version in terms of emission, fuel economy, efficiency and speed tracking error due to the faster response of the control system.
Colorectal cancer (CRC) is a critical health problem. It is the second cause of death globally an... more Colorectal cancer (CRC) is a critical health problem. It is the second cause of death globally and the third world's most frequently diagnosed. Multiple evidences and suggestion imply the relationship of gut microbiota and colorectal cancer carcinogenesis. The different omics techniques like, metagenomic, metaproteomic and metabolomic approaches have led to important advances in the study of the intestinal microbiome, the host as well as the intestinal environment. Different bacterial species, proteins and metabolites have a crucial role in colorectal cancer screening, detection and recurrence. Integration of these three omics analysis in drawing attention to reveal taxonomic and functional structure of human gut microbiota in addition several protein and metabolites detection had helped in construction of microbial communities and their diversity in colorectal cancer patients and healthy controls besides that these bacterial species, metabolites and proteins could be used as a critical biomarkers candidate in colorectal cancer detection, prognosis and recurrence.
Theoretical study of photovoltaic performances of Ru, Rh and Ir half sandwich complexes containing N,N chelating ligands in Dye-Sensitized Solar Cells (DSSCs). DFT and TD-DFT investigation
Background: Mutations within the "a" determinant region (position 124-147) that is present in the... more Background: Mutations within the "a" determinant region (position 124-147) that is present in the major hydrophilic region (MHR, position 99-160) of the hepatitis B surface antigen (HBsAg) are associated with vaccine-escape, lack of diagnosis, and failure to hepatitis B immunoglobulin (HBIG) therapy. Data regarding the amino acid changes of "a" determinant region of HBsAg are limited in Egypt. The prevalence and mutations in this region among chronic HBV (CHB)infected patients in Upper Egypt are not known. Material and Methods: Blood samples were collected from HBsAg-positive CHB-infected patients (n=123) admitted to Assiut University Hospitals. Serum samples were screened for HBsAg, HBeAg, anti-HBs and anti-HBe antibodies using commercially available ELISA kits. Viral load was determined by qPCR. In addition, mutational analysis was carried out targeting the HBV surface gene to determine the HBV genotype and vaccine escape mutations. Results: Sequencing analysis of HBV DNA revealed that genotype D is the major circulating type (81.3%), followed by genotype E (18.7%). Analysis of the HBV genome revealed that 103/123 (83.7%) patients showed wild-type sequences and 20/123 (16.3%) showed mutations in the HBsAg gene. Mutation in seventeen patients (17/20, 85%) showed only one mutation, and three patients showed two mutations (3/20, 15%) in the "a" determinant region. The observed mutations were T115S (3/20, 15%), P120T/S (3/20, 15%), T126S (1/ 20, 5%), Q129R (2/20, 10%), M133T (2/20, 10%), S143L (5/20, 25%), D144E/A (3/20, 15%), and G145R/A (4/20, 20%). Mutations in the "a" determinant region were detected in genotype D isolates only. Conclusion: We described for the first time the prevalence and characterization of vaccine escape mutants in CHB patients in Upper Egypt. Mutational analysis of the "a" determinant region revealed the presence of a wide spectrum of mutants in the circulating HBV isolates that could be a potential threat to HBV diagnosis, therapy success, and HBV vaccination program in Upper Egypt.
This is a PDF file of an article that has undergone enhancements after acceptance, such as the ad... more This is a PDF file of an article that has undergone enhancements after acceptance, such as the addition of a cover page and metadata, and formatting for readability, but it is not yet the definitive version of record. This version will undergo additional copyediting, typesetting and review before it is published in its final form, but we are providing this version to give early visibility of the article. Please note that, during the production process, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain.
Background Congenital anomalies are the fifth leading cause of mortality in children younger than... more Background Congenital anomalies are the fifth leading cause of mortality in children younger than 5 years globally. Many gastrointestinal congenital anomalies are fatal without timely access to neonatal surgical care, but few studies have been done on these conditions in low-income and middle-income countries (LMICs). We compared outcomes of the seven most common gastrointestinal congenital anomalies in low-income, middle-income, and high-income countries globally, and identified factors associated with mortality. Methods We did a multicentre, international prospective cohort study of patients younger than 16 years, presenting to hospital for the first time with oesophageal atresia, congenital diaphragmatic hernia, intestinal atresia, gastroschisis, exomphalos, anorectal malformation, and Hirschsprung's disease. Recruitment was of consecutive patients for a minimum of 1 month between October, 2018, and April, 2019. We collected data on patient demographics, clinical status, interventions, and outcomes using the REDCap platform. Patients were followed up for 30 days after primary intervention, or 30 days after admission if they did not receive an intervention. The primary outcome was all-cause, in-hospital mortality for all conditions combined and each condition individually, stratified by country income status. We did a complete case analysis. Findings We included 3849 patients with 3975 study conditions (560 with oesophageal atresia, 448 with congenital diaphragmatic hernia, 681 with intestinal atresia, 453 with gastroschisis, 325 with exomphalos, 991 with anorectal malformation, and 517 with Hirschsprung's disease) from 264 hospitals (89 in high-income countries, 166 in middleincome countries, and nine in low-income countries) in 74 countries. Of the 3849 patients, 2231 (58•0%) were male. Median gestational age at birth was 38 weeks (IQR 36-39) and median bodyweight at presentation was 2•8 kg (2•3-3•3). Mortality among all patients was 37 (39•8%) of 93 in low-income countries, 583 (20•4%) of 2860 in middle-income countries, and 50 (5•6%) of 896 in high-income countries (p<0•0001 between all country income groups). Gastroschisis had the greatest difference in mortality between country income strata (nine [90•0%] of ten in lowincome countries, 97 [31•9%] of 304 in middle-income countries, and two [1•4%] of 139 in high-income countries; p≤0•0001 between all country income groups). Factors significantly associated with higher mortality for all patients combined included country income status (low-income vs high-income countries, risk ratio 2•78 [95% CI 1•88-4•11], p<0•0001; middle-income vs high-income countries, 2•11 [1•59-2•79], p<0•0001), sepsis at presentation (1•20 [1•04-1•40], p=0•016), higher American Society of Anesthesiologists (ASA) score at primary intervention (ASA 4-5 vs ASA 1-2, 1•82 [1•40-2•35], p<0•0001; ASA 3 vs ASA 1-2, 1•58, [1•30-1•92], p<0•0001]), surgical safety checklist not used (1•39 [1•02-1•90], p=0•035), and ventilation or parenteral nutrition unavailable when needed (ventilation 1•96, [1•41-2•71], p=0•0001; parenteral nutrition 1•35, [1•05-1•74], p=0•018). Administration of parenteral nutrition (0•61, [0•47-0•79], p=0•0002) and use of a peripherally inserted central catheter (0•65 [0•50-0•86], p=0•0024) or percutaneous central line (0•69 [0•48-1•00], p=0•049) were associated with lower mortality. Interpretation Unacceptable differences in mortality exist for gastrointestinal congenital anomalies between lowincome, middle-income, and high-income countries. Improving access to quality neonatal surgical care in LMICs will be vital to achieve Sustainable Development Goal 3.2 of ending preventable deaths in neonates and children younger than 5 years by 2030. Funding Wellcome Trust.
The adsorption of azelaic acid dihydrazide as an environmentally friendly mild steel corrosion in... more The adsorption of azelaic acid dihydrazide as an environmentally friendly mild steel corrosion inhibitor on the iron surface was modelled in this study. We used density functional theory (DFT) calculations and Monte Carlo (MC) and Molecular dynamics (MD) simulations to illustrate the interactions engaged. The interaction of the azelaic acid derivatives with iron metal (Fe) was examined by DFT as a typical example of a corrosion prevention mechanism after the optimized molecular structures of these molecules were investigated. Structures, binding energies, Fikui's charge indicator, electron transfer, and chemical potential are all discussed, the presence of significant binding between the inhibitor and Fe metal is supported by analysis of the resultant complex. Then, in an acidic solution comprising 491,H2O, nine chlorine ions Cl-, and nine hydronium ions H3O+, molecular dynamic, Monte Carlo (MC) simulation were used to model the adsorption of azelaic acid dihydrazide on the iron...
The precise mechanism of intercellular communication between cancer cells following radiation exp... more The precise mechanism of intercellular communication between cancer cells following radiation exposure is unclear. Exosomes are membrane-enclosed small vesicles comprising lipid bilayers and are mediators of intercellular communication that transport a variety of intracellular components, including microRNAs (miRNAs or miRs). The present study aimed to identify novel roles of exosomes released from irradiated cells to neighboring cancer cells. In order to confirm the presence of exosomes in the human pancreatic cancer cell line MIAPaCa-2, ultracentrifugation was performed followed by transmission electron microscopy and nanoparticle tracking analysis (NanoSight) using the exosome-specific surface markers CD9 and CD63. Subsequent endocytosis of exosomes was confirmed by fluorescent microscopy. Cell survival following irradiation and the addition of exosomes was evaluated by colony forming assay. Expression levels of miRNAs in exosomes were then quantified by microarray analysis, while protein expression levels of Cu/Zn-and Mn-superoxide dismutase (SOD1 and 2, respectively) enzymes in MIAPaCa-2 cells were evaluated by western blotting. Results showed that the uptake of irradiated exosomes was significantly higher than that of non-irradiated exosomes. Notably, irradiated exosomes induced higher intracellular levels of reactive oxygen species (ROS) and a higher frequency of DNA damage in MIAPaCa-2 cells, as determined by fluorescent microscopy and immunocytochemistry, respectively. Moreover, six up-and five downregulated miRNAs were identified in 5 and 8 Gy-irradiated cells using miRNA microarray analyses. Further analysis using miRNA mimics and reverse transcription-quantitative PCR identified miR-6823-5p as a potential candidate to inhibit SOD1, leading to increased intracellular ROS levels and DNA damage. To the best of our knowledge, the present study is the first to demonstrate that irradiated exosomes enhance the radiation effect via increasing intracellular ROS levels in cancer cells. This contributes to improved understanding of the bystander effect of neighboring cancer cells.
Purpose/Objectives: The mechanism of intercellular communication after radiation exposure in canc... more Purpose/Objectives: The mechanism of intercellular communication after radiation exposure in cancer cells remains fully undetermined. Exosomes are lipid bilayer-constituted, membrane-enclosed small vesicles that are recognized as mediators transporting a variety of intracellular components including miRNA. Here we identified the novel role of exosomes released from irradiated cells to neighboring cancer cells. Materials/Methods: Human pancreatic cancer cell line MIAPaCa-2 was used in this study. Purified exosome product (PEP) was obtained from cultured media by ultra-centrifugation. PEP was morphologically confirmed by transmission electron microscopy (TEM), and analyzed by NanoSight. Exosome-specific surface markers CD9 and CD63 were evaluated by western blotting. Endocytosis of irradiated exosomes was confirmed by fluorescent microscopy by using the PKH26 dye. Cell survival after irradiation was evaluated by a colony-forming assay. Intracellular reactive oxygen species (ROS) level...
Radiotherapy-induced dermatitis (RID) is an inflammatory cutaneous disorder that is acquired as a... more Radiotherapy-induced dermatitis (RID) is an inflammatory cutaneous disorder that is acquired as an adverse effect of undergoing radiotherapy. Skin microbiome dysbiosis has been linked to the outcomes of several dermatological diseases. To explore the skin microbiota of RID and deduce their underlying impact on the outcome of RID, cutaneous microbiomes of 78 RID patients and 20 healthy subjects were characterized by sequencing V1-V3 regions of 16S rRNA gene. In total, a significantly apparent reduction in bacterial diversity was detected in microbiomes of RID in comparison to controls. Overall, the raised Proteobacteria/ Firmicutes ratio was significantly linked to delayed recovery or tendency toward the permanence of RID (Kruskal Wallis: P = 2.66 × 10–4). Moreover, applying enterotyping on our samples stratified microbiomes into A, B, and C dermotypes. Dermotype C included overrepresentation of Pseudomonas, Staphylococcus and Stenotrophomonas and was markedly associated with delayed...
The development of potentially safe radiosensitizing agents is essential to enhance the treatment... more The development of potentially safe radiosensitizing agents is essential to enhance the treatment outcomes of radioresistant cancers. The titanium peroxide nanoparticle (TiOxNP) was originally produced using the titanium dioxide nanoparticle, and it showed excellent reactive oxygen species (ROS) generation in response to ionizing radiation. Surface coating the TiOxNPs with polyacrylic acid (PAA) showed low toxicity to the living body and excellent radiosensitizing effect on cancer cells. Herein, we evaluated the mechanism of radiosensitization by PAA-TiOxNPs in comparison with gold nanoparticles (AuNPs) which represent high-atomic-number nanoparticles that show a radiosensitizing effect through the emission of secondary electrons. The anticancer effects of both nanoparticles were compared by induction of apoptosis, colony-forming assay, and the inhibition of tumor growth. PAA-TiOxNPs showed a significantly more radiosensitizing effect than that of AuNPs. A comparison of the types an...
Gastrointestinal toxicity is frequently observed secondary to accidental or therapeutic radiation... more Gastrointestinal toxicity is frequently observed secondary to accidental or therapeutic radiation exposure. However, the variation in the intestinal metabolites after abdominal radiation exposure remains ambiguous. In the present study, C57BL/6 mice were exposed to 0, 2, and 20 Gy irradiation dose. The Head and chest of each mouse were covered with a lead shield before x-ray irradiation. 24 h post-irradiation treatment, intestinal tissue of each mouse was excised and prepared for metabolites measurement using gas chromatography-mass spectrometry (GC-MS). Our comprehensive analysis of metabolites in the intestinal tissues detected 44 metabolites after irradiation, including amino acids, carbohydrates, organic acids, and sugars. Amino acid levels in the intestinal tissue gradually rose, dependent on the radiation dose, perhaps as an indication of oxidative stress. Our findings raise the possibility that amino acid metabolism may be a potential target for the development of treatments to alleviate or mitigate the harmful effects of oxidative stress-related gastrointestinal toxicity due to radiation exposure.
Obesity and diabetes are reaching epidemic levels globally. Metagenomics and microbiome science h... more Obesity and diabetes are reaching epidemic levels globally. Metagenomics and microbiome science have recently emerged as new tools for studying common complex human diseases. We report in this study notable differences in gut microbiome in adult patients with obesity and diabetes in Egypt. The experimental design was based on comparisons of four study groups: (1) Controls (C) with a normal body mass index, without obesity or diabetes, (2) Obese adults (O) without diabetes, (3) adults with diabetes (D) who are not obese, and (4) Adults who are both obese and diabetic (OD). In a total study sample of 60 participants, we sequenced the 16S ribosomal RNA (rRNA) gene using the Illumina MiSeq platform. Alpha diversity analysis revealed greater diversity in bacterial communities of (D) than controls. Phylum-level analysis identified a trend for overrepresentation of Bacteroidetes (p < 0.07) in (O) and (D) than controls. The ratio of Firmicutes/Bacteroidetes (F/B) displayed a remarkable increase in (OD) than controls. At genus level, Faecalibacterium (p < 0.05) and Akkermansia (p < 0.001) distinguished (O) from controls, while Fusobacterium (p < 0.001) and Bacteroides (p < 0.001) was significantly more abundant in (OD) compared with D. Surprisingly, isoquinoline, quinone and ubiquinone alkaloid biosynthesis were overrepresented in controls compared with other three study groups. Presumably, the latter observation might potentially suggest an antihyperglycemic activity of the gut microbiota. In conclusion, the health state of the adults in our study defined the composition of the gut microbiota. Moreover, obesity and diabetes were associated with remarkably enriched populations of Firmicutes and Bacteroidetes. The abundance of Fusobacterium is worth further research and exploration as a candidate biomarker for prediabetes especially in obese individuals. The potential antihyperglycemic activity of the gut microbiota is also noteworthy for future studies in other world populations.
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