Search results for: Molecular modeling of 17-picolyl and 17-picolinylidene androstane derivatives with anticancer activity

Authors: Md. Shoffikul Islam, Hongqing Hu

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Immobilizing trace elements by reducing their mobility and bioavailability through amendment application, especially biochar (BC), is a cost-effective and efficient method to address their toxicity in the soil environment. However, the low molecular weight organic acids (LMWOAs) in the rhizosphere could affect BC's efficiency to immobilize trace metals as the LMWOAs could either mobilize or fix metals in the soils. Therefore, understanding the BC's and LMWOAs' interaction mechanisms on metals stabilization in the rhizosphere is crucial. The present study examined the impact of BC derived from rice husk, tartaric acid (TA), and oxalic acid (OA), and the combination of BC and TA/OA on the changes of cadmium (Cd), lead (Pb), and zinc (Zn) among their geochemical forms through incubation experiment. The changes of zeta potential and X-ray diffraction (XRD) pattern of BC and BC-amended soils to investigate the probable mechanisms of trace elements' immobilization by BC under the attacks of TA and OA were also examined. The rice husk BC at 5% (w/w) was mixed with the air-dry soil (an Anthrosols) contaminated with Cd, Pb, and Zn in the plastic pot. The TA and OA each at 2, 5, 10, and 20 mM kg-1 (w/v) were added separately into the pot. All the ingredients were mixed thoroughly with the soil. A control (CK) treatment was also prepared without BC, TA, and OA addition. After 7, 15, and 60 days of incubation with 60% (w/v) moisture level at 25 °C, the incubated soils were determined for pH and EC and were sequentially extracted to assess the metals' transformation in soil. The electronegative charges and XRD peaks of BC and BC-amended soils were also measured. The BC, low level of TA (2 mM kg-1 soil), and BC plus the low concentration of TA (BC-TA2) addition considerably declined the acid-soluble Cd, Pb, and Zn in which BC-TA2 was found to be the most effective treatment. The trends were reversed concerning the high levels of TA (>5-20 mM kg-1 soil), all levels of OA (2-20 mM kg-1 soil), and the BC plus high levels of TA/OA treatments. BC-TA2 changed the highest amounts of acid-soluble and reducible metals to the oxidizable and residual fractions with time. The most increased electronegative charges of BC-TA2 indicate its (BC-TA2) highest metals' immobilizing efficiency, probably through metals adsorption and fixation with the negative charge sites. The XRD study revealed the presence of P, O, CO32-, and Cl1- in BC, which might be responsible for the precipitation of CdCO3, pyromorphite, and hopeite concerning Cd, Pb, and Zn immobilization, respectively. The findings demonstrated that the low level of TA increased metals immobilization, while the high levels of TA and all levels of OA enhanced their mobilization. The BC-TA2 was the best treatment in stabilizing metals in soil.

Keywords: biochar, immobilization, low molecular weight organic acids, trace elements contaminated soil

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Authors: Owolabi Kolade Matthew

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In this work, we investigate both the analytical and numerical studies of the dynamical model comprising of three species system. We analyze the linear stability of stationary solutions in the one-dimensional multi-system modeling the interactions of two predators and one prey species. The stability analysis has a lot of implications for understanding the various spatiotemporal and chaotic behaviors of the species in the spatial domain. The analysis results presented have established the possibility of the three interacting species to coexist harmoniously, this feat is achieved by combining the local and global analyzes to determine the global dynamics of the system. In the presence of diffusion, a viable exponential time differencing method is applied to multi-species nonlinear time-dependent partial differential equation to address the points and queries that may naturally arise. The scheme is described in detail, and justified by a number of computational experiments.

Keywords: asymptotically stable, coexistence, exponential time differencing method, global and local stability, predator-prey model, nonlinear, reaction-diffusion system

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Authors: Le Ngoc Hung, Abriak Nor Edine, Binetruy Christophe, Benzerzour Mahfoud, Shahrour Isam, Patrice Rivard

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Bottom ash from Municipal Solid Waste Incineration (MSWI) can be viewed as a typical granular material because these industrial by-products result from the incineration of various domestic wastes. MSWI bottom ashes are mainly used in road engineering in substitution of the traditional natural aggregates. As the characterization of their mechanical behavior is essential in order to use them, specific studies have been led over the past few years. In the first part of this paper, the mechanical behavior of MSWI bottom ash is studied with triaxial tests. After analysis of the experiment results, the simulation of triaxial tests is carried out by using the software package CESAR-LCPC. As the first approach in modeling of this new class material, the Mohr-Coulomb model was chosen to describe the evolution of material under the influence of external mechanical actions.

Keywords: bottom ash, granular material, triaxial test, mechanical behavior, simulation, Mohr-Coulomb model, CESAR-LCPC

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Authors: Nsimbe Allan

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The study examines the impact of Building Information Modeling (BIM) on the cost management of engineering projects, focusing specifically on the Mombasa Port Area Development Project. The objective of this research venture is to determine the mechanisms through which Building Information Modeling (BIM) facilitates stakeholder collaboration, reduces construction-related expenses, and enhances the precision of cost estimation. Furthermore, the study investigates barriers to execution, assesses the impact on the project's transparency, and suggests approaches to maximize resource utilization. The study, selected for its practical significance and intricate nature, conducted a Systematic Literature Review (SLR) using credible databases, including ScienceDirect and IEEE Xplore. To constitute the diverse sample, 69 individuals, including project managers, cost estimators, and BIM administrators, were selected via stratified random sampling. The data were obtained using a mixed-methods approach, which prioritized ethical considerations. SPSS and Microsoft Excel were applied to the analysis. The research emphasizes the crucial role that project managers, architects, and engineers play in the decision-making process (47% of respondents). Furthermore, a significant improvement in cost estimation accuracy was reported by 70% of the participants. It was found that the implementation of BIM resulted in enhanced project visibility, which in turn optimized resource allocation and facilitated the process of budgeting. In brief, the study highlights the positive impacts of Building Information Modeling (BIM) on collaborative decision-making and cost estimation, addresses challenges related to implementation, and provides solutions for the efficient assimilation and understanding of BIM principles.

Keywords: cost management, resource utilization, stakeholder collaboration, project transparency

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Authors: Feyza Tatar, Alime Cengiz, Dilara Sandikçi, Muhammed Dervisoglu, Talip Kahyaoglu

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Blueberries are known for their bioactive properties such as high anthocyanin contents, antioxidant activities and potential health benefits. However, anthocyanins are sensitive to environmental conditions during processes. The objective of this study was to evaluate the effects of spray drying conditions on the blueberry microcapsules by Plackett-Burman experimental design. Inlet air temperature (120 and 180°C), feed pump rate (20% and 40%), DE of maltodextrin (6 and 15 DE), coating concentration (10% and 30%) and source of blueberry (Duke and Darrow) were independent variables, tested at high (+1) and low (-1) levels. Encapsulation efficiency (based on total phenol) of blueberry microcapsules was the dependent variable. In addition, anthocyanin content, antioxidant activity, water solubility, water activity and bulk density were measured for blueberry powders. The antioxidant activity of blueberry powders ranged from 72 to 265 mmol Trolox/g and anthocyanin content was changed from 528 to 5500 mg GAE/100g. Encapsulation efficiency was significantly affected (p<0.05) by inlet air temperature and coating concentration. Encapsulation efficiency increased with increasing inlet air temperature and decreasing coating concentration. The highest encapsulation efficiency could be produced by spray drying at 180°C inlet air temperature, 40% pump rate, 6 DE of maltodextrin, 13% maltodextrin concentration and source of duke blueberry.

Keywords: blueberry, microencapsulation, Plackett-Burman design, spray drying

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Authors: Buruk Kitachew Wossenyeleh

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Groundwater is the largest freshwater reservoir in the world. Like the other reservoirs of the hydrologic cycle, it is a finite resource. This study focused on the groundwater modeling of the Ter Kamerenbos well field to understand the groundwater flow system and the impact of different scenarios. The study area covers 68.9Km2 in the Brussels Capital Region and is situated in two river catchments, i.e., Zenne River and Woluwe Stream. The aquifer system has three layers, but in the modeling, they are considered as one layer due to their hydrogeological properties. The catchment aquifer system is replenished by direct recharge from rainfall. The groundwater recharge of the catchment is determined using the spatially distributed water balance model called WetSpass, and it varies annually from zero to 340mm. This groundwater recharge is used as the top boundary condition for the groundwater modeling of the study area. During the groundwater modeling using Processing MODFLOW, constant head boundary conditions are used in the north and south boundaries of the study area. For the east and west boundaries of the study area, head-dependent flow boundary conditions are used. The groundwater model is calibrated manually and automatically using observed hydraulic heads in 12 observation wells. The model performance evaluation showed that the root means the square error is 1.89m and that the NSE is 0.98. The head contour map of the simulated hydraulic heads indicates the flow direction in the catchment, mainly from the Woluwe to Zenne catchment. The simulated head in the study area varies from 13m to 78m. The higher hydraulic heads are found in the southwest of the study area, which has the forest as a land-use type. This calibrated model was run for the climate change scenario and well operation scenario. Climate change may cause the groundwater recharge to increase by 43% and decrease by 30% in 2100 from current conditions for the high and low climate change scenario, respectively. The groundwater head varies for a high climate change scenario from 13m to 82m, whereas for a low climate change scenario, it varies from 13m to 76m. If doubling of the pumping discharge assumed, the groundwater head varies from 13m to 76.5m. However, if the shutdown of the pumps is assumed, the head varies in the range of 13m to 79m. It is concluded that the groundwater model is done in a satisfactory way with some limitations, and the model output can be used to understand the aquifer system under steady-state conditions. Finally, some recommendations are made for the future use and improvement of the model.

Keywords: Ter Kamerenbos, groundwater modelling, WetSpass, climate change, well operation

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Authors: Hamad Almohamadi, Nabeel Alharthi, Majed Alamoudi

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Biphasic electrodes featuring CuSx/NiSx electrodeposited on nickel foam have been investigated for their electrocatalytic activity in water splitting. The study investigates the impacts of an S-vacancy induced biphasic design on the overpotential and Tafel slope. According to the findings, the NiSx/CuSx/NF electrode with S-vacancy defects displays stronger oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) activity with lower overpotential and a steeper Tafel slope than the non-defect sample. NiSx/CuSx/NF exhibits the lowest overpotential value of 212 mV vs reversible hydrogen electrode (RHE) for OER and −109 mV vs RHE for HER at 10 mA cm−2. Tafel slope of 25.4 mV dec−1 for OER and −108 mV dec−1 for OER found of that electrode. The electrochemical surface area (ECSA) and diffusion impedance of the electrode is calculated. The maximum ECSA, lowest series resistance and lowest charge transfer resistance are found in the *NiSx/CuSx/NF sample with S-vacancy defects, showing increased electrical conductivity and quick charge transfer kinetics. The *NiSx/CuSx/NF electrode was found to be stable for 80 hours in pure water splitting and 20 hours in sea-water splitting. The investigation comes to the conclusion that the enhanced water splitting activity and electrical conductivity of the electrode are caused by S-vacancy defects resulting in improved water splitting performance.

Keywords: water splitting, electrocatalyst, biphasic design, electrodeposition

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Authors: Guanlin Wu, Jiajia Yao, Fang Liu, Junshuai Xue, Jincheng Zhang, Yue Hao

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Owing to the excellent thermal conductivity and ultra-wide bandgap, Aluminum nitride (AlN)/Gallium nitride (GaN) is a highly promising material to achieve high breakdown voltage and output power devices among III-nitrides. In this study, we explore the growth and characterization of polarization-induced AlN/GaN heterostructures using plasma-assisted molecular beam epitaxy (PA-MBE) on AlN-on-sapphire templates. To improve the crystal quality and demonstrate the effectiveness of the PA-MBE approach, a thick AlN buffer of 180 nm was first grown on the AlN-on sapphire template. This buffer acts as a back-barrier to enhance the breakdown characteristic and isolate leakage paths that exist in the interface between the AlN epilayer and the AlN template. A root-mean-square roughness of 0.2 nm over a scanned area of 2×2 µm2 was measured by atomic force microscopy (AFM), and the full-width at half-maximum of (002) and (102) planes on the X-ray rocking curve was 101 and 206 arcsec, respectively, using by high-resolution X-ray diffraction (HR-XRD). The electron mobility of 443 cm2/Vs with a carrier concentration of 2.50×1013 cm-2 at room temperature was achieved in the AlN/GaN heterostructures by using a polarization-induced GaN channel. The low depletion capacitance of 15 pF is resolved by the capacitance-voltage. These results indicate that the polarization-induced AlN/GaN heterostructures have great potential for next-generation high-temperature, high-frequency, and high-power electronics.

Keywords: AlN, GaN, MBE, heterostructures

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Authors: L. Heidari, M. Jalili Ghazizade

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In recent years, different petrochemical complexes have been established to produce aromatic compounds. Among them, Nouri Petrochemical Complex (NPC) is the largest producer of aromatic raw materials in the world, and is located in south of Iran. Environmental concerns have been raised in this region due to generation of different types of solid waste generated in the process of aromatics production, and subsequently, industrial waste characterization has been thoroughly considered. The aim of this study is qualitative and quantitative characterization of industrial waste generated in the aromatics production process and determination of the best method for industrial waste management. For this purpose, all generated industrial waste during the production process was determined using a checklist. Four main industrial wastes were identified as follows: spent industrial soil, spent catalyst, spent molecular sieves and spent N-formyl morpholine (NFM) solvent. The amount of heavy metals and organic compounds in these wastes were further measured in order to identify the nature and toxicity of such a dangerous compound. Then industrial wastes were classified based on lab analysis results as well as using different international lists of hazardous waste identification such as EPA, UNEP and Basel Convention. Finally, the best method of waste disposal is selected based on environmental, economic and technical aspects. 

Keywords: aromatic compounds, industrial soil, molecular sieve, normal formyl morpholine solvent

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Authors: Madiha El Awamie, Catherine Rees

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Natural preservatives have been used as alternatives to traditional chemical preservatives; however, a limited number have been commercially developed and many remain to be investigated as sources of safer and effective antimicrobials. In this study, we have been investigating the antimicrobial activity of an extract of Glycyrrhiza glabra (liquorice) that was provided as a waste material from the production of liquorice flavourings for the food industry, and to investigate if this retained the expected antimicrobial activity so it could be used as a natural preservative. Antibacterial activity of liquorice extract was screened for evidence of growth inhibition against eight species of Gram-negative and Gram-positive bacteria, including Listeria monocytogenes, Listeria innocua, Staphylococcus aureus, Enterococcus faecalis and Bacillus subtilis. The Gram-negative bacteria tested include Pseudomonas aeruginosa, Escherichia coli and Salmonella typhimurium but none of these were affected by the extract. In contrast, for all of the Gram-positive bacteria tested, growth was inhibited as monitored using optical density. However parallel studies using viable count indicated that the cells were not killed meaning that the extract was bacteriostatic rather than bacteriocidal. The Minimum Inhibitory Concentration [MIC] and Minimum Bactericidal Concentration [MBC] of the extract was also determined and a concentration of 50 µg ml^-1 was found to have a strong bacteriostatic effect on Gram-positive bacteria. Microscopic analysis indicated that there were changes in cell shape suggesting the cell wall was affected. In addition, the use of a reporter strain of Listeria transformed with the bioluminescence genes luxABCDE indicated that cell energy levels were reduced when treated with either 12.5 or 50 µg ml^-1 of the extract, with the reduction in light output being proportional to the concentration of the extract used. Together these results suggest that the extract is inhibiting the growth of Gram-positive bacteria only by damaging the cell wall and/or membrane.

Keywords: antibacterial activity, bioluminescence, Glycyrrhiza glabra, natural preservative

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Authors: Rohana Abdullah, Md Nizam Abd Rahman, Seri Rahayu Kamat

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Operator efficiency aspect is gaining importance in ensuring optimized usage of resources especially in the semi-automated manufacturing environment. This paper addresses a case study done to solve operator efficiency and line balancing issue at a semiconductor assembly and test manufacturing. A Man-to-Machine (M2M) work study technique is used to study operator current utilization and determine the optimum allocation of the operators to the machines. Critical factors such as operator activity, activity frequency and operator competency level are considered to gain insight on the parameters that affects the operator utilization. Equipment standard time and overall equipment efficiency (OEE) information are also gathered and analyzed to achieve a balanced and optimized production.

Keywords: operator efficiency, optimized production, line balancing, industrial and manufacturing engineering

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Authors: Josip Visković, Ana Rimac Smiljanić, Ines Ivić

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Housing loans play an important role in CEE countries’ economies. This fact is based on their share in total loans to households and their importance for economic activity and growth in CEE countries. Therefore, it is important to find out key determinants of housing loans demand in these countries. The aim of this study is to research and analyze the determinants of the demand for housing loans in Croatia. In this regard, the effect of economic activity, loan terms and real estate prices were analyzed. Also, the aim of this study is to find out what motivates people to take housing loans. Therefore, primarily empirical study was conducted among the Croatian residents. The results show that demand for housing loans is positively affected by economic growth, higher personal income and flexible loan terms, while it is negatively affected by interest rate rise.

Keywords: CEE countries, Croatia, demand determinants, housing loans

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Authors: Girgis Younan, Ikram Eltayeb

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Geigeria alata belongs to the family Asteraceae, is an effective plant traditionally used in Sudan as a therapy for hepatic disease and as an antiepileptic, antispasmodic and to treat cough and intestinal complaints.The liver is responsible for many critical functions within the body and any liver disease or injury will result in the loss of those functions leading to significant damage in the body. Liver diseases cause increase in liver enzymes (AST, ALP ALT) and total bilirubin and a decrease in total blood protein level. The objective of this study is to investigate the hepato-protective activity of Geigeria alata leaves ethanolic extract. The plant leaves were extracted using 96% ethanol using Soxhlet apparatus. The hepatoprotective effect was determined using 25 wistar rats, the rats was divided to 5 groups, each group contain 5 rats: [Normal control group] receiving purified water, liver damage was induced in wistar rats by administering a 1:1 (v/v) mixture of CCl4 (1.25 ml/kg) and olive oil once at day four of the experiment [negative control group]. Two doses of extract [400mg/kg and 200mg/kg] was applied daily for 7 days, and standard drug Silymarin (200 mg/kg) were administered daily for 7 days to CCl4-treated rats. The degree of hepato-protective activity was evaluated by determining the hepatic marker enzymes AST, ALP, ALT, total Bilirubin and total proteins (TP). Results have shown that, the extract of G.alata leaves reduced the level of liver enzymes ALT, AST, ALP, total bilirubin and increased the level of total proteins. Since the levels of liver enzymes; bilirubin and total protein are considered as markers of liver function, the extract has proven to reduce the detrimental effects of liver toxicity induced using CCl4. The hepato-protective effect of extract on liver was found to be dose dependent, where the 400mg/kg dose of the extract exhibited higher activity than 200mg/kg dose. In addition, the effect of the higher dose (400mg/kg) of the extract was found to be higher than Silymarin standard drug. The result concludes that, G.alata leaves extract was found to exhibit profound hepato-protective activity, which justifies the traditional use of the plant for the treatment of hepatic diseases.

Keywords: alata, extract, geigeria, hepatoprotective

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Authors: Amir Reza Radmanesh, Sina Farajzadeh Khosroshahi, Hani Sadr

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The transient catalytic converter performance is governed by complex interactions between exhaust gas flow and the monolithic structure of the catalytic converter. Stringent emission regulations around the world necessitate the use of highly-efficient catalytic converters in vehicle exhaust systems. Computational fluid dynamics (CFD) is a powerful tool for calculating the flow field inside the catalytic converter. Radial velocity profiles, obtained by a commercial CFD code, present very good agreement with respective experimental results published in the literature. However the applicability of CFD for transient simulations is limited by the high CPU demands. In the present work, Geometric modeling ceramic monolith substrate is done with square shaped channel type of Catalytic converter and it is coated platinum and palladium. This example illustrates the effect of flow distribution on thermal response of a catalytic converter and different gas flow velocities, during the critical phase of catalytic converter warm up.

Keywords: catalytic converter, computational fluid dynamic, porous media, velocity distribution

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Authors: Akram Khelaifia, Salah Guettala, Nesreddine Djafar Henni, Rachid Chebili

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Recent seismic events have underscored the significant influence of masonry infill walls on the resilience of structures. The irregular positioning of these walls exacerbates their adverse effects, resulting in substantial material and human losses. Research and post-earthquake evaluations emphasize the necessity of considering infill walls in both the design and assessment phases. This study delves into the presence of soft stories in reinforced concrete structures with infill walls. Employing an approximate method relying on pushover analysis results, fiber-section-based macro-modeling is utilized to simulate the behavior of infill walls. The findings shed light on the presence of soft first stories, revealing a notable 240% enhancement in resistance for weak column—strong beam-designed frames due to infill walls. Conversely, the effect is more moderate at 38% for strong column—weak beam-designed frames. Interestingly, the uniform distribution of infill walls throughout the structure's height does not influence soft-story emergence in the same seismic zone, irrespective of column-beam strength. In regions with low seismic intensity, infill walls dissipate energy, resulting in consistent seismic behavior regardless of column configuration. Despite column strength, structures with open-ground stories remain vulnerable to soft first-story emergence, underscoring the crucial role of infill walls in reinforced concrete structural design.

Keywords: masonry infill walls, soft Storey, pushover analysis, fiber section, macro-modeling

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Authors: Maha A. Younus, Dhefaf H. Badri, Maha A. Al Abayaji, Taha M. Salih

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Polymer metal complexes of poly vinyl alcohol and Cu (II), Ni (II), Mn (II) and Co (III) were prepared from the reaction of PVA with three different percentages of urea. The compound was characterized by fourier transform infrared spectrometry (FTIR) analysis and differential scanning calorimetric (DSC) Analysis. It has been established that the polymer and its metal complexes showed good activities against nine pathogenic bacteria (Escherichia coli, Klebsiellapneumonae, Staphylococcusaureus, Staphylococcus Albus, Salmonella Typhoid, Pseudomonas Aeruginosa, Shigella Dysentery, Proteus Morgani, Brucella Militensis). The polymer metal complexes show activity higher than that of the free polymer. The increasing activities were in the order (polymer < pol-Mn< pol-Co < pol-Ni ˂ pol-Cu). The ability of these compounds to show antimicrobial properties suggests that they can be further evaluated for medicinal and/or environmental applications.

Keywords: antimicrobial activity, PVA, polymer-metal complex, urea

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Authors: Zipei Yin

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Community space is the main place for children's daily outdoor activities. The mountain community space has the typical characteristics of a closed natural environment, a scattered population layout with height differences, and a relatively independent group structure. This has resulted in special limitations on children's outdoor activities in terms of safety, accessibility, and appropriateness, which urgently makes it necessary to explore how to construct children's activity spaces in mountainous societies under the special limitations. This study investigated the activity spaces for children aged 3-11 years old in typical old communities in Chongqing and evaluated them based on the dimensions of spatial characteristics, environmental safety, and connectivity to summarise three typical patterns of children's outdoor activity spaces in old communities in mountainous cities. Then, under the framework of the appeal of the child-friendly urban environment, taking advantage of the characteristics of the old community in mountain cities compared with the plain urban community, such as complex social form, diversified functional positioning, and good foundation of autonomy, this paper explores the micro-renewal path and strategy of the compound utilization of community public space from the two levels of design and governance, so as to further promote the research and practice of the healthy development of mountain urban community environment.

Keywords: child-friendly, healthy community, community public space, mountainous urban community, community renewal

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Authors: Sinethemba Yakobi, Lindiwe Zuma, Ofentse Pooe

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Gonococcal infections present a notable public health issue, and the major approach for treatment involves using β-lactam antibiotics that specifically target penicillin-binding protein 2 (PBP2) in Neisseria gonorrhoeae. This study examines the influence of flavonoids, namely rutin, on the structural changes of PBP2 in both penicillin-resistant (FA6140) and penicillin-susceptible (FA19) strains. The research clarifies the structural effects of particular mutations, such as inserting an aspartate residue at position 345 (Asp-345a) in the PBP2 protein. The strain FA6140, which is resistant to penicillin, shows specific changes that lead to a decrease in penicillin binding. These mutations, namely P551S and F504L, significantly impact the pace at which acylation occurs and the stability of the strain under high temperatures. Molecular docking analyses investigate the antibacterial activities of rutin and other phytocompounds, emphasizing its exceptional binding affinity and potential as an inhibitor of PBP2. Quercetin and protocatechuic acid have encouraging antibacterial effectiveness, with quercetin displaying characteristics similar to those of drugs. Molecular dynamics simulations offer a detailed comprehension of the interactions between flavonoids and PBP2, highlighting rutin's exceptional antioxidant effects and strong affinity for the substrate binding site. The study's wider ramifications pertain to the pressing requirement for antiviral treatments in the context of the ongoing COVID-19 epidemic. Flavonoids have a strong affinity for binding to PBP2, indicating their potential as inhibitors to impair cell wall formation in N. gonorrhoeae. Ultimately, this study provides extensive knowledge on the interactions between proteins and ligands, the dynamics of the structure, and the ability of flavonoids to combat penicillin-resistant N. gonorrhoeae bacteria. The verified simulation outcomes establish a basis for creating potent inhibitors and medicinal therapies to combat infectious illnesses.

Keywords: phytochemicals, penicillin-binding protein 2, gonococcal infection, ligand-protein interaction, binding energy, neisseria gonorrhoeae FA19, neisseria gonorrhoeae FA6140, flavonoids

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Authors: Prakash Khatarkar, P. A. Khan, Shweta Mukherjee, Roshni Atulkar, P. K. Purohit, A. K. Gwal

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We have investigated the occurrence characteristics of ionospheric scintillations, using dual frequency GPS, installed and operated at Indian scientific base station Maitri (71.45S and 11.45E), Antarctica, during December 2009 to December 2010. The scintillation morphology is described in terms of S4 Index. The scintillations are classified into four main categories as Weak (0.21.0). From the analysis we found that the percentage of weak, moderate, strong and saturated scintillations were 96%, 80%, 58% and 7%, respectively. The maximum percentage of all types of scintillation was observed in the summer season, followed by equinox and the least in winter season. As the year 2010 was a low solar activity period, consequently the maximum occurrences of scintillations were those of weak and moderate and only four cases of saturated scintillation were observed.

Keywords: L-band scintillation, GPS, auroral region, low solar activity

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Authors: Janneth Gonzalez, Marco Avila, George Barreto

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GRP78 participates in multiple functions in the cell during normal and pathological conditions, controlling calcium homeostasis, protein folding and unfolded protein response. GRP78 is located in the endoplasmic reticulum, but it can change its location under stress, hypoxic and apoptotic conditions. NF-κB represents the keystone of the inflammatory process and regulates the transcription of several genes related with apoptosis, differentiation, and cell growth. The possible relationship between GRP78-NF-κB could support and explain several mechanisms that may regulate a variety of cell functions, especially following brain injuries. Although several reports show interactions between NF-κB and heat shock proteins family members, there is a lack of information on how GRP78 may be interacting with NF-κB, and possibly regulating its downstream activation. Therefore, we assessed the computational predictions of the GRP78 (Chain A) and NF-κB complex (IkB alpha and p65) protein-protein interactions. The interaction interface of the docking model showed that the amino acids ASN 47, GLU 215, GLY 403 of GRP78 and THR 54, ASN 182 and HIS 184 of NF-κB are key residues involved in the docking. The electrostatic field between GRP78-NF-κB interfaces and molecular dynamic simulations support the possible interaction between the proteins. In conclusion, this work shed some light in the possible GRP78-NF-κB complex indicating key residues in this crosstalk, which may be used as an input for better drug design strategy targeting NF-κB downstream signaling as a new therapeutic approach following brain injuries.

Keywords: computational biology, protein interactions, Grp78, bioinformatics, molecular dynamics

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Authors: Kazem Ghanbari, Yousef Gholami

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This paper deals with study about fractional order impulsive Hamiltonian systems and fractional impulsive Sturm-Liouville type problems derived from these systems. The main purpose of this paper devotes to obtain so called Lyapunov type inequalities for mentioned problems. Also, in view point on applicability of obtained inequalities, some qualitative properties such as stability, disconjugacy, nonexistence and oscillatory behaviour of fractional Hamiltonian systems and fractional Sturm-Liouville type problems under impulsive conditions will be derived. At the end, we want to point out that for studying fractional order Hamiltonian systems, we will apply recently introduced fractional Conformable operators.

Keywords: fractional derivatives and integrals, Hamiltonian system, Lyapunov-type inequalities, stability, disconjugacy

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Authors: Abdelhadi Adam Salih Denei

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Silver nanoparticles (AgNPs) have been used in cancer therapy, and the area of nanomedicine has made unheard-of strides in recent years. A thorough summary of the development and assessment of AgNPs for their possible use in the fight against cancer is the goal of this review. Targeted delivery methods have been designed to optimise therapeutic efficacy by using AgNPs' distinct physicochemical features, such as their size, shape, and surface chemistry. Firstly, the study provides an overview of the several synthesis routes—both chemical and green—that are used to create AgNPs. Natural extracts and biomolecules are used in green synthesis techniques, which are becoming more and more popular since they are biocompatible and environmentally benign. It is next described how synthesis factors affect the physicochemical properties of AgNPs, emphasising how crucial it is to modify these parameters for particular therapeutic uses. An extensive analysis is conducted on the anticancer potential of AgNPs, emphasising their capacity to trigger apoptosis, impede angiogenesis, and alter cellular signalling pathways. The analysis also investigates the potential benefits of combining AgNPs with currently used cancer treatment techniques, including radiation and chemotherapy. AgNPs' safety profile for use in clinical settings is clarified by a comprehensive evaluation of their cytotoxicity and biocompatibility.

Keywords: silver nanoparticles, cancer, nanocarrier system, targeted delivery

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Authors: Jakub Zembrzuski, Bartosz Sobczyk, Mikołaj MIśkiewicz

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Besides designing new constructions, engineers all over the world must face another problem – maintenance, repairs, and assessment of the technical condition of existing bridges. To solve more complex issues, it is necessary to be familiar with the theory of finite element method and to have access to the software that provides sufficient tools which to enable create of sometimes significantly advanced numerical models. The paper includes a brief assessment of the technical condition, a description of the in situ non-destructive testing carried out and the FEM models created for global and local analysis. In situ testing was performed using strain gauges and displacement sensors. Numerical models were created using various software and numerical modeling techniques. Particularly noteworthy is the method of modeling riveted joints of the crossbeam of the viaduct. It is a simplified method that consists of the use of only basic numerical tools such as beam and shell finite elements, constraints, and simplified boundary conditions (fixed support and symmetry). The results of the numerical analyses were presented and discussed. It is clearly explained why the structure did not fail, despite the fact that the weld of the deck plate completely failed. A further research problem that was solved was to determine the cause of the rapid increase in values on the stress diagram in the cross-section of the transverse section. The problems were solved using the solely mentioned, simplified method of modeling riveted joints, which demonstrates that it is possible to solve such problems without access to sophisticated software that enables to performance of the advanced nonlinear analysis. Moreover, the obtained results are of great importance in the field of assessing the operation of bridge structures with an orthotropic plate.

Keywords: bridge, diagnostics, FEM simulations, failure, NDT, in situ testing

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Authors: N. Nwachoko, E. B. Essien, E. O. Ayalogu

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Owing to the outbreak of different diseases and microbial resistance to some available drugs, proper identification, and evaluation of plants have been encouraged. There have been claims worldwide by the traditional system that some plants possessed medicinal properties. Plants and their components have been said to be source of large amount of drugs which comprise of distinct groups such as antispasmodics, anticancer and antimicrobials. Researchers have reported that chemicals in plants are responsible for the medicinal uses of plants. Thus this study evaluated the protective effect of Aframomun chrysanthum seed aqueous extract in acetaminophen-induced liver toxicity in rats. A suspension of 750 mg/kg acetaminophen was administered once every 72 hours to induce toxicity in the rats. Oral administration of 500, 1000 and 2000 mg/kg body weight of the extract and 100 mg/kg of silymarin (reference drug) were administered for 10 days. Biochemical analysis showed significant (p < 0.05) increase in the activities of aspartate aminotransferase (AST), alanine aminotransferase (ALT)and alkaline phosphatase (ALP)as well as the concentrations of albumin (ALB) and total bilirubin (T.B.) levels in rats administered with acetaminophen only. The levels of these parameters were significantly (p < 0.05) decreased in the groups pretreated with the extract.

Keywords: Aframomun chrysanthum, silymarin, hepatoprotective, toxicity

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Authors: Takahiro Ishizaki, Shutaro Hisada, Oi Lun Li

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Control of surface wettability is very important in various industrial fields. Thus, contact angle hysteresis which is defined as the difference between advancing and receding water contact angles has been paid attention because the surface having low contact angle hysteresis can control wetting behavior of water droplet. Self-assembled monolayer (SAM) formed using organic silane molecules has been used to control surface wettability, in particular, static contact angles, however, the effect of alkyl-chain length in organic silane molecules on the contact angle hysteresis has not yet clarified. In this study, we aimed to investigate the effect of alkyl-chain length (C1-C18) in organic silane molecules on the contact angle hysteresis. SAMs were formed on Si wafer by thermal CVD method using silane coupling agents having different alkyl-chain length. The static water contact angles increased with an increase in the alkyl-chain length. On the other hand, although the water contact angle hysteresis tended to decrease with an increase in the alkyl-chain length, in case of the alkyl-chain length of more than C16 the contact angle hysteresis increased. This could be due to the decrease in the molecular mobility because of the increase in the molecular packing density in chemisorbed silane molecules.

Keywords: alkyl-chain length, self-assembled monolayer, silane coupling agent, surface wettability

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Authors: Rachel Danielson, Brendan Bohannan, S.M. Tsai, Kyle Meyer, Jorge L.M. Rodrigues

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The Amazon Rainforest is a global diversity hotspot and crucial carbon sink, but approximately 20% of its total extent has been deforested- primarily for the establishment of cattle pasture. Understanding the impact of this large-scale disturbance on soil microbial community composition and activity is crucial in understanding potentially consequential shifts in nutrient or greenhouse gas cycling, as well as adding to the body of knowledge concerning how these complex communities respond to human disturbance. In this study, surface soils (0-10cm) were collected from three forests and three 45-year-old pastures in Rondonia, Brazil (the Amazon state with the greatest rate of forest destruction) in order to determine the impact of forest conversion on microbial communities involved in nitrogen fixation. Soil chemical and physical parameters were paired with measurements of microbial activity and genetic profiles to determine how community composition and process rates relate to environmental conditions. Measuring both the natural abundance of 15N in total soil N, as well as incorporation of enriched 15N2 under incubation has revealed that conversion of primary forest to cattle pasture results in a significant increase in the rate of nitrogen fixation by free-living diazotrophs. Quantification of nifH gene copy numbers (an essential subunit encoding the nitrogenase enzyme) correspondingly reveals a significant increase of genes in pasture compared to forest soils. Additionally, genetic sequencing of both nifH genes and transcripts shows a significant increase in the diversity of the present and metabolically active diazotrophs within the soil community. Levels of both organic and inorganic nitrogen tend to be lower in pastures compared to forests, with ammonium rather than nitrate as the dominant inorganic form. However, no significant or consistent differences in total, extractable, permanganate-oxidizable, or loss-on-ignition carbon are present between the two land-use types. Forest conversion is associated with a 0.5- 1.0 unit pH increase, but concentrations of many biologically relevant nutrients such as phosphorus do not increase consistently. Increases in free-living diazotrophic community abundance and activity appear to be related to shifts in carbon to nitrogen pool ratios. Furthermore, there may be an important impact of transient, low molecular weight plant-root-derived organic carbon on free-living diazotroph communities not captured in this study. Preliminary analysis of nitrogenase gene variant composition using NovoSeq metagenomic sequencing indicates that conversion of forest to pasture may significantly enrich vanadium-based nitrogenases. This indication is complemented by a significant decrease in available soil molybdenum. Very little is known about the ecology of diazotrophs utilizing vanadium-based nitrogenases, so further analysis may reveal important environmental conditions favoring their abundance and diversity in soil systems. Taken together, the results of this study indicate a significant change in nitrogen cycling and diazotroph community composition with the conversion of the Amazon Rainforest. This may have important implications for the sustainability of cattle pastures once established since nitrogen is a crucial nutrient for forage grass productivity.

Keywords: free-living diazotrophs, land use change, metagenomic sequencing, nitrogen fixation

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Authors: Mohammed Khalil Ur Rahman, Khanita Aammatullh

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Rasayana is one of the eight clinical specialities of classical Ayurveda The disease preventive and health promotive approach of ‘Ayurveda’, which takes into consideration the whole body, mind and spirit while dealing with the maintenance of health, promotion of health and treating ailments is holistic and finds increasing acceptability in many regions of the world. Ancient Ayurvedic physicians had developed certain dietary and therapeutic measures to arrest/delay ageing and rejuvenating whole functional dynamics of the body system. This revitalization and rejuvenation is known as the ‘Rasayan chikitsa’ (rejuvenation therapy). Traditionally, Rasayana drugs are used against a plethora of seemingly diverse disorders with no pathophysiological connections according to modern medicine. Though, this group of plants generally possesses strong antioxidant activity, only a few have been investigated in detail. Over about 100 disorders like rheumatoid arthritis, hemorrhagic shock, CVS disorders, cystic fibrosis, metabolic disorders, neurodegenerative diseases, gastrointestinal ulcerogenesis and AIDS have been reported as reactive oxygen species mediated. In this review, the role of free radicals in these diseases has been briefly reviewed. ‘Rasayana’ plants with potent antioxidant activity have been reviewed for their traditional uses, and mechanism of antioxidant action. Fifteen such plants have been dealt with in detail and some more plants with less work have also been reviewed briefly The Rasayanas are rejuvenators, nutritional supplements and possess strong antioxidant activity. They also have antagonistic actions on the oxidative stressors, which give rise to the formation of different free radicals. Ocimum sanctum, Tinospora cordifolia, Emblica officinalis, Convolvulus pluricaulis, Centella asiatica, Bacopa monniera, Withania somnifera, Triphala rasayana, Chyawanprash, Brahma rasayana are very important rasayanas which are described in ayurveda and proved by new researches.

Keywords: rasayana, antioxidant activity, Bacopa monniera, Withania somnifera Triphala, chyawanprash

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Authors: M. Eickermann, M. K. Class, J. Junk

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Winter oilseed rape, Brassica napus L., is characterized by a high number of herbicide applications. Therefore, its cultivation can lead to massive contamination of ground water and soil by herbicide and their metabolites. A multi-side long-term field experiment (EFFO, Efficient crop rotation) was set-up in Luxembourg to quantify these effects. Based on soil sampling and laboratory analysis, preliminary results showed reduced dehydrogenase activities of several soil organisms due to herbicide treatments. This effect is highly depending on the soil type. Relation between the dehydrogenase activity and the amount of microbial carbon showed higher variability on the test side with loamy Brown Earth, based on Bunter than on those with sandy-loamy Brown Earth, based on calciferous Sandstone.

Keywords: cropping system, dehydrogenase activity, herbicides, mechanical weed control, oilseed rape

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Authors: Amit Kumar

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Accurate identification of deteriorated air quality regions is very helpful in devising better environmental practices and mitigation efforts. In the present study, an attempt has been made to identify the air pollutant dispersion patterns especially NOX due to vehicular and industrial sources over a rapidly developing urban city, Visakhapatnam (17°42’ N, 83°20’ E), India, during April 2009. Using the emission factors of different vehicles as well as the industry, a high resolution 1 km x 1 km gridded emission inventory has been developed for Visakhapatnam city. A dispersion model AERMOD with explicit representation of planetary boundary layer (PBL) dynamics and offline coupled through a developed coupler mechanism with a high resolution mesoscale model WRF-ARW resolution for simulating the dispersion patterns of NOX is used in the work. The meteorological as well as PBL parameters obtained by employing two PBL schemes viz., non-local Yonsei University (YSU) and local Mellor-Yamada-Janjic (MYJ) of WRF-ARW model, which are reasonably representing the boundary layer parameters are considered for integrating AERMOD. Significantly different dispersion patterns of NOX have been noticed between summer and winter months. The simulated NOX concentration is validated with available six monitoring stations of Central Pollution Control Board, India. Statistical analysis of model evaluated concentrations with the observations reveals that WRF-ARW of YSU scheme with AERMOD has shown better performance. The deteriorated air quality locations are identified over Visakhapatnam based on the validated model simulations of NOX concentrations. The present study advocates the utility of tNumerical Simulation of Air Pollutant Using Coupled AERMOD-WRF Modeling System over Visakhapatnam: A Case Studyhe developed gridded emission inventory of NOX with coupled WRF-AERMOD modeling system for air quality assessment over the study region.

Keywords: WRF-ARW, AERMOD, planetary boundary layer, air quality

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Authors: Jonathan Martino, Kristof Harri

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In some cases, the increase in computing resources makes simulation methods more affordable. The increase in processing speed also allows real time analysis or even more rapid tests analysis offering a real tool for test prediction and design process optimization. Vibration tests are no exception to this trend. The so called ‘Virtual Vibration Testing’ offers solution among others to study the influence of specific loads, to better anticipate the boundary conditions between the exciter and the structure under test, to study the influence of small changes in the structure under test, etc. This article will first present a virtual vibration test modeling with a main focus on the shaker model and will afterwards present the experimental parameters determination. The classical way of modeling a shaker is to consider the shaker as a simple mechanical structure augmented by an electrical circuit that makes the shaker move. The shaker is modeled as a two or three degrees of freedom lumped parameters model while the electrical circuit takes the coil impedance and the dynamic back-electromagnetic force into account. The establishment of the equations of this model, describing the dynamics of the shaker, is presented in this article and is strongly related to the internal physical quantities of the shaker. Those quantities will be reduced into global parameters which will be estimated through experiments. Different experiments will be carried out in order to design an easy and practical method for the identification of the shaker parameters leading to a fully functional shaker model. An experimental modal analysis will also be carried out to extract the modal parameters of the shaker and to combine them with the electrical measurements. Finally, this article will conclude with an experimental validation of the model.

Keywords: lumped parameters model, shaker modeling, shaker parameters, state-space, virtual vibration

Procedia PDF Downloads 252