Search results for: carbon emission absorption

Authors: Y. Zheng, M. Busi, A. F. Pedersen, M. A. Beltran, C. Gundlach

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X-ray phase contrast imaging has shown to yield a better contrast compared to conventional attenuation X-ray imaging, especially for soft tissues in the medical imaging energy range. This can potentially lead to better diagnosis for patients. However, phase contrast imaging has mainly been performed using highly brilliant Synchrotron radiation, as it requires high coherence X-rays. Many research teams have demonstrated that it is also feasible using a laboratory source, bringing it one step closer to clinical use. Nevertheless, the requirement of fine gratings and high precision stepping motors when using a laboratory source prevents it from being widely used. Recently, a random phase object has been proposed as an analyzer. This method requires a much less robust experimental setup. However, previous studies were done using a particular X-ray source (liquid-metal jet micro-focus source) or high precision motors for stepping. We have been working on a much simpler setup with just small modification of a commercial bench-top micro-CT (computed tomography) scanner, by introducing a piece of sandpaper as the phase analyzer in front of the X-ray source. However, it needs a suitable algorithm for speckle tracking and 3D reconstructions. The precision and sensitivity of speckle tracking algorithm determine the resolution of the system, while the 3D reconstruction algorithm will affect the minimum number of projections required, thus limiting the temporal resolution. As phase contrast imaging methods usually require much longer exposure time than traditional absorption based X-ray imaging technologies, a dynamic phase contrast micro-CT with a high temporal resolution is particularly challenging. Different reconstruction methods, including neural network based techniques, will be evaluated in this project to increase the temporal resolution of the phase contrast micro-CT. A Monte Carlo ray tracing simulation (McXtrace) was used to generate a large dataset to train the neural network, in order to address the issue that neural networks require large amount of training data to get high-quality reconstructions.

Keywords: micro-ct, neural networks, reconstruction, speckle-based x-ray phase contrast

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Authors: Anis Belhaj Mohamed, Moncef Saidi, Mohamed Soussi, Ibrahim Bouazizi, Monia Ben Jrad

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This paper summarizes the results of Rock-Eval pyrolysis and biomarker data of shale samples collected from the Ordovician age (Llanvirnian-Llandeilian) (Azzel Formation) in the Chotts basin southern part of Tunisia. The results are supported by analysis of cutting samples from wells. The Azzel shales has poor to moderate, occasionally good, potential for sourcing oil and gas with Total Organic Carbon (TOC) content varying from 0.80 to 4.49 % and petroleum potential (PP) values varying between 0.68 to 9.20 Kg of HC/t rock in Baguel and Alaguia wells. However, the Azzel Formation show poor to fair TOC and PP in Elfranig and HajBrahim wells not exceeding 1.10% and 1.05 kg HC/t of rock respectively. The Hydrogen Index (HI) and the Oxygen Index (OI) values of 95–165 mg S2/g TOC and of 33–108 mg CO2/g rock relatively show that the Ordovician shales exhibit type II Kerogen that reached the main oil window stage and that the organic matter was bad preserved, Tmax values of 435 – 448°C indicate the organic matter is mature. The biomarker features of the extract samples are characterized by high proportion of tricyclic terpanes that are dominated by C23 and C21 tricyclic terpanes. The hopanes fraction is dominated by C29 and C30 hopanes. The Ordovician shales show a predominance of C27 over C29 steranes (C27/C29>1) and relatively high proportions of diasteranes supporting the shaly character of the source rock.

Keywords: biomarkers, organic geochemistry, ordovician source rock, diasteranes

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Authors: G. Gevorgyan, S. Khudaverdyan, A. Vaseashta

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The Lake Sevan basin is situated in the eastern part of the Republic of Armenia (Gegharquniq marz/district). The heavy metal pollution of the some tributaries of Lake Sevan was investigated. Water sampling was performed in August and December, 2014 from the 4 observation sites: 1) Sotq river upstream (about 600 meters upstream from the Sotq gold mine); 2) Sotq river mouth; 3) Masrik river mouth; 4) Dzknaget river mouth. Heavy metal (V, Fe, Ni, Cu, As, Mo, Pb) concentrations in the water samples were determined by the standard methods using an atomic absorption spectrophotometer. The results of the study showed that heavy metal content mainly increased from the upstream of the Sotq river to the mouth of the Masrik river which may have been conditioned by the influence of gold mining activity as the Masrik and its tributary-Sotq rivers passing through the gold mining area were exposed to heavy metal pollution. The observation sites can be ranked by pollution degree as follows: №3> №2> №1> №4. The highest heavy metal pollution degree was observed in the Masrik river mouth which may have been conditioned by the direct impact of gold mining activity and the pressure of its tributary–the Sotq river which flows through the gold mining area. The lowest heavy metal pollution degree was registered in the Dzknaget river mouth which flowing through rural areas wasn’t subject to significant heavy metal pollution. According to the observation sites of the Sotq and Masrik rivers, high positive correlation was mainly observed between the concentrations of the investigated heavy metals (except nickel) which indicated that all the heavy metals except the nickel had the same anthropogenic pollution source which was the activity of the Sotq gold mine. In general, it is possible to state that the activity of the Sotq gold mine in the Lake Sevan basin caused the heavy metal pollution of the Sotq and Masrik rivers which may have posed environmental hazards. Heavy metals are nondegradable substances, and heavy metal pollution of freshwater systems may pose risks to the environment and human health through accumulation in the tissues of aquatic organisms, water-food chain as well as oral ingestion and dermal contact.

Keywords: Armenia, Lake Sevan basin, gold mining activity, river ecosystems, heavy metal pollution

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Authors: O. Ojeda Mena, Y. Cressault, P. Teulet, J. P. Gonnet, D. F. N. Santos, MD. Cunha, M. S. Benilov

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The assumption of plasma in local thermal equilibrium (LTE) is commonly used to perform electric arc simulations for industrial applications. This assumption allows to model the arc using a set of magneto-hydromagnetic equations that can be solved with a computational fluid dynamic code. However, the LTE description is only valid in the arc column, whereas in the regions close to the electrodes the plasma deviates from the LTE state. The importance of these near-electrode regions is non-trivial since they define the energy and current transfer between the arc and the electrodes. Therefore, any accurate modelling of the arc must include a good description of the arc-electrode phenomena. Due to the modelling complexity and computational cost of solving the near-electrode layers, a simplified description of the arc-electrode interaction was developed in a previous work to study a steady high-pressure arc discharge, where the near-electrode regions are introduced at the interface between arc and electrode as boundary conditions. The present work proposes a similar approach to simulate the arc ignition in a free-burning arc configuration following an LTE description of the plasma. To obtain the transient evolution of the arc characteristics, appropriate boundary conditions for both the near-cathode and the near-anode regions are used based on recent publications. The arc-cathode interaction is modeled using a non-linear surface heating approach considering the secondary electron emission. On the other hand, the interaction between the arc and the anode is taken into account by means of the heating voltage approach. From the numerical modelling, three main stages can be identified during the arc ignition. Initially, a glow discharge is observed, where the cold non-thermionic cathode is uniformly heated at its surface and the near-cathode voltage drop is in the order of a few hundred volts. Next, a spot with high temperature is formed at the cathode tip followed by a sudden decrease of the near-cathode voltage drop, marking the glow-to-arc discharge transition. During this stage, the LTE plasma also presents an important increase of the temperature in the region adjacent to the hot spot. Finally, the near-cathode voltage drop stabilizes at a few volts and both the electrode and plasma temperatures reach the steady solution. The results after some seconds are similar to those presented for thermionic cathodes.

Keywords: arc-electrode interaction, thermal plasmas, electric arc simulation, cold electrodes

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Authors: Kareem Kalo Qassim, Hassan A. M. Mezori

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The bioaccumulation of heavy metals in the environment has become a matter of public interest because it persists in the soil longer than other components of the biosphere. Bioremediation has emerged as the ideal alternative environmentally friendly and ecological sound technology for removing pollutants from polluted sites. Phytoremediation is an attractive remediation technology that makes use of plants to remove contaminants from the environment. A pot experiment was conducted under lath house conditions to evaluate the ability of plants (H. Annuus, S. Bicolor, and Z. Mays) to phytoextract heavy metals from artificially polluted soils by different concentrations of Cadmium, Lead, and Copper (0, 100, 200, 200 + EDTA). The Seed germination was influenced by the presence of heavy metals and inhibition increased by increasing the heavy metals concentration. A significant difference was observed in the effect of lead and copper. Generally, the length of root, shoot, and intact plant was reduced by all the concentrations used in the experiments. The root system was affected more than the shoot system of the same plants. All heavy metals concentrations caused a reduction in the dry weight and chlorophyll content of all tested plant species; the reduction was increased by increasing the concentration of all heavy metals, especially when EDTA was added. The Bioaccumulation of heavy metals concentration of all the tested plants increased by increasing the concentration. The highest accumulation of cadmium was (81.77mg kg⁻¹), and copper was ( 65.07 mg kg⁻¹) in S. bicolor, while lead-in H. annuus was (60.74 mg kg⁻¹). The order of accumulation of heavy metals in all the tested plant species in the root system and the intact plant was as follows: H. annuus ˃ S. bicolor ˃ Z. mays and shoot system was: H. annuus ˃ Z. mays ˃ S. bicolor. The highest TF of cadmium was (0.41) in H. annuus; lead was (0.72) in Z. mays and S. bicolor, and copper was (0.44) in Z. mays. The tested plant species varied in their response to the heavy metals and the inhibition was concentration depended. In general, the roots system was more affected by heavy metals toxicity than the shoots system; the roots system accumulated more heavy metals in the roots than the shoots system. The addition of EDTA to the last concentration of heavy metals facilitated the availably and absorption of heavy metals from the polluted soil by all tested plant species.

Keywords: phytoextyraction, phytoremediation, translocation, heavy metals, soil pollution

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Authors: Sheraz Ahmad, Li Yiming, Li XiangFang, Xia Wei, Zeen Chen

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Holding CO₂ at massive scale in the enclathrated solid matter called hydrate can be perceived as one of the most reliable methods for CO₂ sequestration to take greenhouse gases emission control measures and global warming preventive actions. In this study, a dynamically coupled mass and heat transfer mathematical model is developed which elaborates the unsteady behavior of CO₂ flowing into a porous medium and converting itself into hydrates. The combined numerical model solution by implicit finite difference method is explained and through coupling the mass, momentum and heat conservation relations, an integrated model can be established to analyze the CO₂ hydrate growth within P-T equilibrium conditions. CO₂ phase transition, effect of hydrate nucleation by exothermic heat release and variations of thermo-physical properties has been studied during hydrate nucleation. The results illustrate that formation pressure distribution becomes stable at the early stage of hydrate nucleation process and always remains stable afterward, but formation temperature is unable to keep stable and varies during CO₂ injection and hydrate nucleation process. Initially, the temperature drops due to cold high-pressure CO₂ injection since when the massive hydrate growth triggers and temperature increases under the influence of exothermic heat evolution. Intermittently, it surpasses the initial formation temperature before CO₂ injection initiates. The hydrate growth rate increases by increasing injection pressure in the long formation and it also expands overall hydrate covered length in the same induction period. The results also show that the injection pressure conditions and hydrate growth rate affect other parameters like CO₂ velocity, CO₂ permeability, CO₂ density, CO₂ and H₂O saturation inside the porous medium. In order to enhance the hydrate growth rate and expand hydrate covered length, the injection temperature is reduced, but it did not give satisfactory outcomes. Hence, CO₂ injection in vacated natural gas hydrate porous sediment may form hydrate under low temperature and high-pressure conditions, but it seems very challenging on a huge scale in lengthy formations.

Keywords: CO₂ hydrates, CO₂ injection, CO₂ Phase transition, CO₂ sequestration

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Authors: Sreto Boljevic

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Heating systems based on geothermal energy sources are becoming increasingly popular among commercial/community buildings as management of these buildings looks for a more efficient and environmentally friendly way to manage the heating system. The thermal energy supply of most European commercial/community buildings at present is provided mainly by energy extracted from natural gas. In order to reduce greenhouse gas emissions and achieve climate change targets set by the EU, restructuring in the area of thermal energy supply is essential. At present, heating and cooling account for approx... 50% of the EU primary energy supply. Due to its physical characteristics, thermal energy cannot be distributed or exchange over long distances, contrary to electricity and gas energy carriers. Compared to electricity and the gas sectors, heating remains a generally black box, with large unknowns to a researcher and policymaker. Ain literature number of documents address policies for promoting renewable energy technology to facilitate heating for residential/community/commercial buildings and assess the balance between heat supply and heat savings. Ground source heat pump (GSHP) technology has been an extremely attractive alternative to traditional electric and fossil fuel space heating equipment used to supply thermal energy for residential/community/commercial buildings. The main purpose of this paper is to create an algorithm using an analytical approach that could enable a feasibility study regarding the implementation of GSHP technology in community building with existing fossil-fueled heating systems. The main results obtained by the algorithm will enable building management and GSHP system designers to define the optimal size of the system regarding technical, environmental, and economic impacts of the system implementation, including payback period time. In addition, an algorithm is created to be utilized for a feasibility study for many different types of buildings. The algorithm is tested on a building that was built in 1930 and is used as a church located in Cork city. The heating of the building is currently provided by a 105kW gas boiler.

Keywords: GSHP, greenhouse gas emission, low-enthalpy, renewable energy

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Authors: Galen Dennis, Lukas Dahlin, Michael Guarnieri, Stefanie Van Wychen, Shawn Starkenburg, Matthew Posewitz, Colin Kruse

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Scenedesmus 46B-D3 was identified in 2021 by screening a culture collection produced by the Posewitz lab at the Colorado School of Mines. The strain was found to continue accumulating biomass in a nitrogen-depleted state, which is a rare and technologically promising trait in microalgae. As the culture grows, a shift from nitrogen-replete to depleted conditions is indicated by arrested cell division and the accumulation of lipids, polysaccharides and photoprotective pigments. The latter trait gives stationary phase cultures a deep red color due to the presence of the high-value beta-ketocarotenoids, canthaxanthin and astaxanthin. The combination of continued photosynthesis post-nitrogen depletion and the accumulation of valuable pigments makes S. 46B-D3 of interest from a fundamental and industrial perspective, respectively. This project reports the results of a multi-omic study examining changes in the proteome and transcriptome in nitrogen-replete and deplete conditions. In addition, it characterizes the pigment composition of S. 46B-D3 across its growth curve and the method of cell division within the strain. These results indicate that upon sensing nitrogen scarcity, S. 46B-D3 efficiently recycles and repurposes nitrogen away from cell division and towards energy storage through the accumulation of lipids and polysaccharides. The accumulation of photoprotective pigments also prevents damage to and serves as an additional carbon sink for the cell’s light system.

Keywords: pigments, photosynthesis, proteomics, transcriptomics

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Authors: Sospeter P. Maganga, Alphonce Wikedzi, Mussa D. Budeba, Samwel V. Manyele

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This study characterizes complex gold ores (elemental and mineralogical composition, gold distribution, ore grindability, and mineral liberation) for preliminary process selection. About 200 kg of ore samples were collected from each location using systematic sampling by mass interval. Ores were dried, crushed, milled, and split into representative sub-samples (about 1 kg) for elemental and mineralogical composition analyses using X-ray fluorescence (XRF), fire assay finished with Atomic Absorption Spectrometer (AAS), and X-ray Diffraction (XRD) methods, respectively. The gold distribution was studied on size-by-size fractions, while ore grindability was determined using the standard Bond test. The mineral liberation analysis was conducted using ThermoFisher Scientific Mineral Liberation Analyzer (MLA) 650, where unsieved polished grain mounts (80% passing 700 µm) were used as MLA feed. Two MLA measurement modes, X-ray modal analysis (XMOD) and sparse phase liberation-grain X-ray mapping analysis (SPL-GXMAP), were employed. At least two cyanide consumers (Cu, Fe, Pb, and Zn) and kinetics impeders (Mn, S, As, and Bi) were present in all locations investigated. Copper content at Kapanda (0.77% Cu) and Ibindi (7.48% Cu) exceeded the recommended threshold of 0.5% Cu for direct cyanidation. The gold ore at Ibindi indicated a higher rate of grinding compared to other locations. This could be explained by the highest grindability (2.119 g/rev.) and lowest Bond work index (10.213 kWh/t) values. The pyrite-marcasite, chalcopyrite, galena, and siderite were identified as major gold, copper, lead, and iron-bearing minerals, respectively, with potential for economic extraction. However, only gold and copper can be recovered under conventional milling because of grain size issues (galena is exposed by 10%) and process complexity (difficult to concentrate and smelt iron from siderite). Therefore, the preliminary process selection is copper flotation followed by gold cyanidation for Kapanda and Ibindi ores, whereas gold cyanidation with additives such as glycine or ammonia is selected for Mawemeru and Itumbi ores because of low concentrations of Cu, Pb, Fe, and Zn minerals.

Keywords: complex gold ores, mineral liberation, ore characterization, ore grindability

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Authors: Jia Zhang, Fengmei Yao, Yanjing Tan

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The accurate estimation of crop yield is of great importance for the food security. In this study, a process-based mechanism model was modified to estimate yield of C4 crop by modifying the carbon metabolic pathway in the photosynthesis sub-module of the RS-P-YEC (Remote-Sensing-Photosynthesis-Yield estimation for Crops) model. The yield was calculated by multiplying net primary productivity (NPP) and the harvest index (HI) derived from the ratio of grain to stalk yield. The modified RS-P-YEC model was used to simulate maize yield in the Northeast China Plain during the period 2002-2011. The statistical data of maize yield from study area was used to validate the simulated results at county-level. The results showed that the Pearson correlation coefficient (R) was 0.827 (P < 0.01) between the simulated yield and the statistical data, and the root mean square error (RMSE) was 712 kg/ha with a relative error (RE) of 9.3%. From 2002-2011, the yield of maize planting zone in the Northeast China Plain was increasing with smaller coefficient of variation (CV). The spatial pattern of simulated maize yield was consistent with the actual distribution in the Northeast China Plain, with an increasing trend from the northeast to the southwest. Hence the results demonstrated that the modified process-based model coupled with remote sensing data was suitable for yield prediction of maize in the Northeast China Plain at the spatial scale.

Keywords: process-based model, C4 crop, maize yield, remote sensing, Northeast China Plain

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Authors: W. Ketren, J. Wannapeera, Z. Heishun, A. Ryuichi, K. Toshiteru, M. Kouichi, O. Hideaki

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Degradative solvent extraction is the method developed for biomass upgrading by dewatering and fractionation of biomass under the mild condition. However, the conversion mechanism of the degradative solvent extraction method has not been fully understood so far. The rice straw was treated in 1-methylnaphthalene (1-MN) at a different solvent-treatment temperature varied from 250 to 350 ^oC with the residence time for 60 min. The liquid membrane-Fourier Transform Infrared Spectroscopy (FTIR) technique is applied to study the processing mechanism in-depth without separation of the solvent. It has been found that the strength of the oxygen-hydrogen stretching  (3600-3100 cm^-1) decreased slightly with increasing temperature in the range of 300-350 ^oC. The decrease of the hydroxyl group in the solvent soluble suggested dehydration reaction taking place between 300 and 350 ^oC. FTIR spectra in the carbonyl stretching region (1800-1600 cm^-1) revealed the presence of esters groups, carboxylic acid and ketonic groups in the solvent-soluble of biomass. The carboxylic acid increased in the range of 200 to 250 ^oC and then decreased. The prevailing of aromatic groups showed that the aromatization took place during extraction at above 250 ^oC. From 300 to 350 ^oC, the carbonyl functional groups in the solvent-soluble noticeably decreased. The removal of the carboxylic acid and the decrease of esters into the form of carbon dioxide indicated that the decarboxylation reaction occurred during the extraction process.

Keywords: biomass waste, degradative solvent extraction, mechanism, upgrading

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Authors: Jun Ying Lin, Tzu Hsiang Yen, Cha'o Kuang Chen

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Nowadays, the great majority believe that there is great potentiality in hydrogen storage alloy storing hydrogen by physical and chemical absorption. However, the hydrogen storage alloy is limited by high operation temperature. Scientists find that adding transition elements can improve the properties of hydrogen storage alloy. In this research, outstanding improvements of kinetic and thermal properties are given by the addition of Palladium and Titanium hydride to Magnesium-based hydrogen storage alloy. Magnesium-based alloy is the main material, into which TiH2 / Pd are added separately. Following that, materials are milled by a Planetary Ball Miller at 650 rpm. TGA/DSC and PCT measure the capacity, spending time and temperature of abs/des-orption. Additionally, SEM and XRD analyze the structures and components of material. It is clearly shown that Pd is beneficial to kinetic properties. 2MgH2-0.1Pd has the highest capacity of all the alloys listed, approximately 5.5 wt%. Secondly, there are not any new Ti-related compounds found from XRD analysis. Thus, TiH2, considered as the catalyst, leads to the condition of 2MgH2-TiH2 and 2MgH2-TiH2-0.1Pd efficiently absorbing hydrogen in low temperature. 2MgH2-TiH2 can reach roughly 3.0 wt% in 82.4 minutes at 50°C and 8 minutes at 100°C, while2MgH2-TiH2-0.1Pd can reach 2.0 wt% in 400 minutes at 50°C and in 48 minutes at 100°C. The lowest temperature of 2MgH2-0.1Pd and 2MgH2-TiH2 is similar (320°C), otherwise the lowest temperature of 2MgH2-TiH2-0.1Pd decrease by 20°C. From XRD, it can be observed that PdTi2 and Pd3Ti are produced by mechanical alloying when adding Pd as well as TiH2 into MgH2. Due to the synergistic effects between Pd and TiH2, 2MgH2-TiH2-0.1Pd owns the lowest dehydrogenation temperature. Furthermore, the Pressure-Composition-Temperature (PCT) curve of 2MgH2-TiH2-0.1Pd is measured at different temperature, 370°C, 350°C, 320°C and 300°C separately. The plateau pressure is given form the PCT curves above. In accordance to different plateau pressures, enthalpy and entropy in the Van’t Hoff equation can be solved. In 2MgH2-TiH2-0.1Pd, the enthalpy is 74.9 KJ/mol and the entropy is 122.9 J/mol. Activation means that hydrogen storage alloy undergoes repeat abs/des-orpting processes. It plays an important role in the abs/des-orption. Activation shortens the abs/des-orption time because of the increase in surface area. From SEM, it is clear that the grain size and surface become smaller and rougher

Keywords: hydrogen storage materials, magnesium hydride, abs-/des-orption performance, Plateau pressure

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Authors: Yih-Chien Chen, Yue-Xuan Du, Min-Zhe Weng

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Carbon monoxide is a substance produced by the incomplete combustion. It is toxic even at concentrations of less than 100ppm. Since it is colorless and odorless, it is difficult to detect. CO sensors have been developed using a variety of physical mechanisms, including semiconductor oxides, solid electrolytes, and organic semiconductors. Many works have focused on using semiconducting sensors composed of sensitive layers such as ZnO, TiO₂, and NiO with high sensitivity for gases. However, these sensors working at high temperatures increased their power consumption. On the other hand, the dielectric resonator (DR) is attractive for gas detection due to its large surface area and sensitivity for external environments. Materials that are to be employed in sensing devices must have a high-quality factor. Numerous researches into the fergusonite-type structure and related ceramic systems have explored. Extensive research into RENbO₄ ceramics has explored their potential application in resonators, filters, and antennas in modern communication systems, which are operated at microwave frequencies. Nd(Ti₀.₅W₀.₅)O₄ ceramics were synthesized herein using the conventional mixed-oxide method. The Nd(Ti₀.₅W₀.₅)O₄ ceramics were prepared using the conventional solid-state method. Dielectric constants (εᵣ) of 15.4-19.4 and quality factor (Q×f) of 3,600-11,100 GHz were obtained at sintering temperatures in the range 1425-1525°C for 4 h. The dielectric properties of the Nd(Ti₀.₅W₀.₅)O₄ ceramics at microwave frequencies were found to vary with the sintering temperature. For a further understanding of these microwave dielectric properties, they were analyzed by densification, X-ray diffraction (XRD), and by making microstructural observations.

Keywords: dielectric constant, dielectric resonators, sensors, quality factor

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Authors: V. Ibujes, A. Guevara, P. Barreto

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Concentration of arsenic represents a serious threat to human health. It is a bioaccumulable toxic element and is transferred through the food chain. In Ecuador, values of 0.0423 mg/kg As are registered in potatoes of the skirts of the Tungurahua volcano. The increase of arsenic contamination in Ecuador is mainly due to mining activity, since the process of gold extraction generates toxic tailings with mercury. In the Province of Azuay, due to the mining activity, the soil reaches concentrations of 2,500 to 6,420 mg/kg As whereas in the province of Tungurahua it can be found arsenic concentrations of 6.9 to 198.7 mg/kg due to volcanic eruptions. Since the contamination by arsenic, the present investigation is directed to the remediation of the soils in the provinces of Azuay and Tungurahua by phytoremediation technique and the definition of a methodology of extraction by means of analysis of arsenic in the system soil-plant. The methodology consists in selection of two types of plants that have the best arsenic removal capacity in synthetic solutions 60 μM As, a lower percentage of mortality and hydroponics resistance. The arsenic concentrations in each plant were obtained from taking 10 ml aliquots and the subsequent analysis of the ICP-OES (inductively coupled plasma-optical emission spectrometry) equipment. Soils were contaminated with synthetic solutions of arsenic with the capillarity method to achieve arsenic concentration of 13 and 15 mg/kg. Subsequently, two types of plants were evaluated to reduce the concentration of arsenic in soils for 7 weeks. The global variance for soil types was obtained with the InfoStat program. To measure the changes in arsenic concentration in the soil-plant system, the Rhizo and Wenzel arsenic extraction methodology was used and subsequently analyzed with the ICP-OES (optima 8000 Pekin Elmer). As a result, the selected plants were bluegrass and llanten, due to the high percentages of arsenic removal of 55% and 67% and low mortality rates of 9% and 8% respectively. In conclusion, Azuay soil with an initial concentration of 13 mg/kg As reached the concentrations of 11.49 and 11.04 mg/kg As for bluegrass and llanten respectively, and for the initial concentration of 15 mg/kg As reached 11.79 and 11.10 mg/kg As for blue grass and llanten after 7 weeks. For the Tungurahua soil with an initial concentration of 13 mg/kg As it reached the concentrations of 11.56 and 12.16 mg/kg As for the bluegrass and llanten respectively, and for the initial concentration of 15 mg/kg As reached 11.97 and 12.27 mg/kg Ace for bluegrass and llanten after 7 weeks. The best arsenic extraction methodology of soil-plant system is Wenzel.

Keywords: blue grass, llanten, phytoremediation, soil of Azuay, soil of Tungurahua, synthetic arsenic solution

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Authors: Sally Hosny, Mona G. Ibrahim, N. K. Hassan

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Fiber reinforced polymers (FRP) is one of the most environmentally method for strengthening and retrofitting steel structure buildings. The behaviour of flexural strengthened steel I-beams using FRP was investigated. The finite element (FE) models were developed using ANSYS® as verification cases to simulate the experimental behaviour of using FRP strips to flexure strengthen steel I-beam. Two experimental studies were selected for verification; first examined the effect of different thicknesses and modulus of elasticity while the second studied the effect of applying different carbon fiber reinforced polymers (CFRP) bond lengths. The proposed FE models were in good agreement with the experimental results in terms of failure modes, load bearing capacities and strain distribution on CFRP strips. The verified FE models can be utilized to conduct a parametric study where various widths (40, 50, 60, 70 and 80 mm), thickness (1.2, 2 and 4 mm) and lengths (1500, 1700 and 1800 mm) of CFRP were analyzed. The results presented clearly revealed that the load bearing capacity was significantly increased (+7%) when the width and thickness were increased. However, load bearing capacity was slightly affected using longer CFRP strips. Moreover, applying another glass fiber reinforced polymers (GFRP) of 1500 mm in length, 50 mm in width and thicknesses of 1.2, 2 and 4 mm were investigated. Load bearing capacity of strengthened I-beams using GFRP is less than CFRP by average 8%. Statistical analysis has been conducted using Minitab®.

Keywords: FRP, strengthened steel I-beams, flexural, FEM, ANSYS

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Authors: Mary Konadu

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The rectal route for drug administration is becoming attractive to drug formulators because it can avoid hepatic first-pass effects, decrease gastrointestinal side effects and avoid undesirable effects of meals on drug absorption. Suppositories have been recognized as an alternative to the oral route in situations such as when the patient is comatose, unable to swallow, or when the drug produces nausea or vomiting. Effective drug delivery with appropriate pharmaceutical excipient is key in the production of clinically useful preparations. The high cost of available excipients coupled with other disadvantages have led to the exploration of potential excipients from natural sources. Allanblackia floribunda butter, a naturally occurring lipid, is used for medicinal, culinary, and cosmetic purposes. Different extraction methods (solvent (hexane) extraction, traditional/hot water extraction, and cold/screw press extraction) were employed to extract the oil. The different extracts of A. floribunda oil were analyzed for their physicochemical properties and mineral content. The oil was used as a base to formulate Paracetamol and Diclofenac suppositories. Quality control test were carried out on the formulated suppositories. The %age oil yield for hexane extract, hot water extract, and cold press extract were 50.40 ±0.00, 37.36±0.00, and 20.48±0.00, respectively. The acid value, saponification value, iodine value and free fatty acid were 1.159 ± 0.065, 208.51 ± 8.450, 49.877 ± 0.690 and 0.583 ± 0.032 respectively for hexane extract; 3.480 ± 0.055, 204.672±2.863, 49.04 ± 0.76 and 1.747 ± 0.028 respectively for hot water/traditional extract; 4.43 ± 0.055, 192.05±1.56, 49.96 ± 0.29 and 2.23 ± 0.03 respectively for cold press extract. Calcium, sodium, magnesium, potassium, and iron were minerals found to be present in the A. floribunda butter extracts. The uniformity of weight, hardness, disintegration time, and uniformity of content were found to be within the acceptable range. The melting point ranges for all the suppositories were found to be satisfactory. The cumulative drug release (%) of the suppositories at 45 minutes was 90.19±0.00 (Hot water extract), 93.75±0.00 (Cold Pres Extract), and 98.16±0.00 (Hexane Extract) for Paracetamol suppositories. Diclofenac sodium suppositories had a cumulative %age release of 81.60±0.00 (Hot water Extract), 95.33±0.00 (Cold Press Extract), and 99.20±0.00 (Hexane Extract). The physicochemical parameters obtained from this study shows that Allanblackia floribunda seed oil is edible and can be used as a suppository base. The suppository formulation was successful, and the quality control tests conformed to Pharmacopoeia standard.

Keywords: allanblackia foribunda, paracetamol, diclofenac, suppositories

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Authors: Soumita Mitra, Santosh Kumar Sarkar

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Hooghly river estuary (HRE), situated at the north eastern part of Bay of Bengal has global significance due to its holiness. It is of immense importance to the local population as it gives perpetual water supply for various activities such as transportation, fishing, boating, bathing etc. to the local people who settled on both the banks of this estuary. This study was done to assess the dissolved and particulate trace metal in the estuary covering a stretch of about 175 Km. The water samples were collected from the surface (0-5 cm) along the salinity gradient and metal concentration were studied both in dissolved and particulate phase using Graphite Furnace Atomic Absorption Spectrophotometer (GF-AAS) along some physical characteristics such as water temperature, salinity, pH, turbidity and total dissolved solids. Although much significant spatial variation was noticed but little enrichment was found along the downstream of the estuary. The mean concentration of the metals in the dissolved and particulate phase followed the same trend and as follows: Fe>Mn>Cr>Zn>Cu>Ni>Pb. The concentration of the metals in the particulate phase were much greater than that in dissolved phase which was also depicted from the values of the partition coefficient (Kd)(ml mg-1). The Kdvalues ranged from 1.5x105 (in case of Pb) to 4.29x106 (in case of Cr). The high value of Kd for Cr denoted that the metal Cr is mostly bounded with the suspended particulate matter while the least value for Pb signified it presence more in dissolved phase. Moreover, the concentrations of all the studied metals in the dissolved phase were many folds higher than their respective permissible limits assested by WHO 2008, 2009 and 2011. On the other hand, according to Sediment Quality Guidelines (SQGs), Zn, Cu and Ni in the particulate phase lied between ERL and ERM values but Cr exceeded ERM values at all the stations confirming that the estuary is mostly contaminated with the particulate Cr and it might cause frequent adverse effects on the aquatic life. Multivariate statistics Cluster analysis was also performed which separated the stations according to the level of contamination from several point and nonpoint sources. Thus, it is found that the estuarine system is much polluted by the toxic metals and further investigation, toxicological studies should be implemented for full risk assessment of this system, better management and restoration of the water quality of this globally significant aquatic system.

Keywords: dissolved and particulate phase, Hooghly river estuary, partition coefficient, surface water, toxic metals

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Authors: Usman Dahiru, Faisal Saleem, Kui Zhang, Adam Harvey

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Volatile organic compounds (VOCs) are atmospheric contaminants predominantly derived from petroleum spills, solvent usage, agricultural processes, automobile, and chemical processing industries, which can be detrimental to the environment and human health. Environmental problems such as the formation of photochemical smog, organic aerosols, and global warming are associated with VOC emissions. Research showed a clear relationship between VOC emissions and cancer. In recent years, stricter emission regulations, especially in industrialized countries, have been put in place around the world to restrict VOC emissions. Non-thermal plasmas (NTPs) are a promising technology for reducing VOC emissions by converting them into less toxic/environmentally friendly species. The dielectric barrier discharge (DBD) plasma is of interest due to its flexibility, moderate capital cost, and ease of operation under ambient conditions. In this study, a dielectric barrier discharge (DBD) reactor has been developed for the decomposition of cyclohexane (as a VOC model compound) using nitrogen, dry, and humidified air carrier gases. The effect of specific input energy (1.2-3.0 kJ/L), residence time (1.2-2.3 s) and concentration (220-520 ppm) were investigated. It was demonstrated that the removal efficiency of cyclohexane increased with increasing plasma power and residence time. The removal of cyclohexane decreased with increasing cyclohexane inlet concentration at fixed plasma power and residence time. The decomposition products included H₂, CO₂, H₂O, lower hydrocarbons (C₁-C₅) and solid residue. The highest removal efficiency (98.2%) was observed at specific input energy of 3.0 kJ/L and a residence time of 2.3 s in humidified air plasma. The effect of humidity was investigated to determine whether it could reduce the formation of solid residue in the DBD reactor. It was observed that the solid residue completely disappeared in humidified air plasma. Furthermore, the presence of OH radicals due to humidification not only increased the removal efficiency of cyclohexane but also improves product selectivity. This work demonstrates that cyclohexane can be converted to smaller molecules by a dielectric barrier discharge (DBD) non-thermal plasma reactor by varying plasma power (SIE), residence time, reactor configuration, and carrier gas.

Keywords: cyclohexane, dielectric barrier discharge reactor, non-thermal plasma, removal efficiency

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Authors: T. M. Agbede, A. O. Adekiya

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Field experiments were conducted during 2013, 2014 and 2015 cropping seasons at Rufus Giwa Polytechnic, Owo, Ondo State, southwest Nigeria. The objective of the investigation was to determine the effect of Cocoa Pod Ash (CPA) and Poultry Manure (PM) applied solely and their combined form, as sources of fertilizers on soil properties, leaf nutrient composition, growth and yield of yam. Three soil amendments: CPA, PM (sole forms), CPA and PM (mixture), were applied at 20 t ha^-1 with an inorganic fertilizer (NPK 15-15-15) at 400 kg ha^-1 as a reference and a natural soil fertility, NSF (control). The five treatments were arranged in a randomized complete block design with three replications. The test soil was slightly acidic, low in organic carbon (OC), N, P, K, Ca and Mg. Results showed that soil amendments significantly increased (p = 0.05) tuber weights and growth of yam, soil and leaf N, P, K, Ca and Mg, soil pH and OC concentrations compared with the NSF (control). The mixture of CPA+PM treatment increased tuber weights of yam by 36%, compared with inorganic fertilizer (NPK) and 19%, compared with PM alone. Sole PM increased tuber weight of yam by 15%, compared with NPK. Sole or mixed forms of soil amendments showed remarkable improvement in soil physical properties, nutrient availability, compared with NPK and the NSF (control). Integrated application of CPA at 10 t ha^-1 + PM at 10 t ha^-1 was the most effective treatment in improving soil physical properties, increasing nutrient availability and yam performance than sole application of any of the fertilizer materials.

Keywords: cocoa pod ash, leaf nutrient composition, poultry manure, soil properties, yam

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Authors: Nidhi Gupta, Omita Nanda, Rakhi Grover, Kanchan Saxena

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Hybrid perovskite is new class of material which has gained much attention due to their different crystal structure and interesting optical and electrical properties. Easy fabrication, high absorption coefficient, and photoluminescence properties make them a strong candidate for various applications such as sensors, photovoltaics, photodetectors, etc. In perovskites, ions arrange themselves in a special type of crystal structure with chemical formula ABX3, where A is organic species like CH3NH3+, B is metal ion (e.g., Pb, Sn, etc.) and X is halide (Cl-, Br-, I-). In crystal structure, A is present at corner position, B at center of the crystal lattice and halide ions at the face centers. High stability and sensitivity of nanostructured perovskite make them suitable for chemical sensors. Researchers have studied sensing properties of perovskites for number of analytes such as 2,4,6-trinitrophenol, ethanol and other hazardous chemical compounds. Ammonia being highly toxic agent makes it a reason of concern for the environment. Thus the detection of ammonia is extremely important. Our present investigation deals with organic inorganic hybrid perovskite based ammonia sensor. Various methods like sol-gel, solid state synthesis, thermal vapor deposition etc can be used to synthesize Different hybrid perovskites. In the present work, a novel hybrid perovskite has been synthesized by a single step method. Ethylenediammnedihalide and lead halide were used as precursor. Formation of hybrid perovskite was confirmed by FT-IR and XRD. Morphological characterization of the synthesized material was performed using scanning electron microscopy (SEM). SEM analysis revealed the formation of one dimensional nanowire perovskite with mean diameter of 200 nm. Measurements for sensing properties of halide perovskite for ammonia vapor were carried out. Perovskite thin films showed a color change from yellow to orange on exposure of ammonia vapor. Electro-optical measurements show that sensor based on lead halide perovskite has high sensitivity towards ammonia with effective selectivity and reversibility. Sensor exhibited rapid response time of less than 20 seconds.

Keywords: hybrid perovskite, ammonia, sensor, nanostructure, thin film

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Authors: Badr Eddine Lebrouhi, Melissa Lopez Viveros, Silvia De Los Santos, Kolthoum Missaoui, Pamela Ramirez Vidal

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Since the Paris Climate Agreement, numerous countries, including France, have committed to achieving carbon neutrality by 2050 by enhancing renewable energy capacity and decarbonizing various sectors, including aviation. In this way, the Occitanie region aspires to become a renewable energy pioneer and has focused on Toulouse's Blagnac airport—a prominent hub characterized by high-energy demands. As part of a holistic strategy to reduce the airport's energy dependency, green hydrogen has emerged as a promising alternative fuel, offering the potential to significantly enhance aviation's environmental sustainability. This study assesses the technical and economic aspects of green hydrogen production, particularly its potential to replace fossil kerosene in aviation at Toulouse-Blagnac airport. It analyzes future liquid hydrogen fuel demand, calculates energy requirements for electrolysis and liquefaction, considers diverse renewable energy scenarios, and assesses the Levelized Cost of Hydrogen (LCOH) for economic viability. The research also projects LCOH evolution from 2023 to 2050, offering a comprehensive view of green hydrogen's feasibility as a sustainable aviation fuel, aligning with the region's renewable energy and sustainable aviation objectives.

Keywords: Toulouse-Blagnac Airport, green hydrogen, aviation decarbonization, electrolysis, renewable energy, technical-economic feasibility

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Authors: O. A. Babalola, A. F Adekunle, F. Oladeji, A. T. Osungbade, O. A. Akinlaja

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Optimizing microbiological activities in an organic crop production system is crucial to the realization of optimum growth and development of the crops. Field and pot experiments were conducted to assess soil microbial activities, growth and yield of tomato varieties in response to 4 rates of composted plant and animal residues. The compost rates were 0, 5, 10 and 20 t ha-1, and improved Ibadan and Ibadan local constituted the varieties. Fungi population, microbial biomass nitrogen, cellulase and proteinase activities were significantly higher (P≤ 0.05) at the rhizosphere of the local variety than that of improved variety. This led to a significantly higher number of branches, plant height, leaf area, number of fruits and less days to maturity in the local variety. Furthermore, compost-amended soil had significantly higher microbial populations, microbial biomass N, P and C, enzyme activities, soil N, P and organic carbon than control, but amendment of 20 t ha-1 gave significantly higher values than other compost rates. Consequently, growth parameters and tissue N significantly increased in all compost treatments while dry matter yield and weight of fruits were significantly higher in soil amended with 20 t ha-1. Correlation analysis showed that microbial activities at 6 weeks after transplanting (6 WAT) were more consistently and highly correlated with growth and yield parameters. It was concluded that microbial activities could be optimized to improve the yield of the two tomato varieties in an organic production system, through the application of compost, particularly at 20 t ha-1.

Keywords: compost, microbial activities, microbial contribution, tomato growth and yield

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Authors: Sayed M. Ahmed, Sawsan S. Darwish, Nagib A. Elmarzugi, Mohammad A. Al-Dosari, Mahmoud A. Adam, Nadia A. Al-Mouallimi

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The preservation of cultural heritage is a worldwide problem. Stone monuments represent an important part of this heritage, but due to their prevalently outdoor location, they are generally subject to a complex series of weathering and decay processes, in addition to physical and chemical factors, also biological agents usually play an important role in deterioration phenomena. The aim of this paper is to experimentally verify applicability and feasibility of titanium dioxide (TiO2) nanoparticles for the preservation of historical (architectural, monumental, archaeological) stone surfaces which enables to reduce the deterioration behaviors mentioned above. TiO2 nanoparticles dispersed in an aqueous colloidal suspension were applied directly on travertine (Marble and limestone often used in historical and monumental buildings) by spray-coating in order to obtain a nanometric film on stone samples. SEM, coupled with EDX microanalysis. (SEM-EDX), in order to obtain information oncoating homogeneity, surface morphology before and after aging and penetration depth of the TiO2 within the samples. Activity of the coated surface was evaluated with UV accelerated aging test. Capillary water absorption, thermal aging and colorimetric measurements have been performed on on coated and uncoated samples to evaluate their properties and estimate change of appearance with colour variation. Results show Tio2 nanoparticles good candidate for coating applications on calcareous stone, good water-repellence was observed on the samples after treatment; analyses were carried out on both untreated and freshly treated samples as well as after artificial aging. Colour change showed negligible variations on the coated or uncoated stone as well as after aging. Results showed that treated stone surfaces seem to be not affected after 1000 hours of exposure to UV radiation, no alteration of the original features.

Keywords: architectural and archaeological heritage, calcareous stone, photocatalysis TiO2, self-cleaning, thermal aging

Procedia PDF Downloads 277

Authors: Menna Ewida, Dalal Abou El-Ella, Dina Lasheen, Huessin El-Subbagh

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Introduction: Vascular Endothelial Growth Factor receptor (VEGF) is a signal protein produced by cells that stimulates vasculogenesis to create new blood vessels. VEGF family binds to three trans-membrane tyrosine kinase receptors,Dihydrofolate reductase (DHFR) is an enzyme of crucial importance in medicinal chemistry. DHFR catalyzes the reduction 7,8 dihydro-folate to tetrahydrofolate and intimately couples with thymidylate synthase which is a pivotal enzyme that catalysis the reductive methylation of deoxyuridine monophosphate (dUMP) to deoxythymidine monophosphate (dTMP) utilizing N5,N10-methylene tetrahydrofolate as a cofactor which functions as the source of the methyl group. Purpose: Novel substituted Thiazole agents were designed as DHFR and VEGF-TK inhibitors with increased synergistic activity and decreased side effects. Methods: Five series of compounds were designed with a rational that mimic the pharmacophoric features present in the reported active compounds that target DHFR & VEGFR. These molecules were docked against Methotrexate & Sorafenib as controls. An in silico ADMET study was also performed to validate the bioavailability of the newly designed compounds. The in silico molecular docking & ADMET study were also applied to the non-classical antifolates for comparison. The interaction energy comparable to that of MTX for DHFRI and Sorafenib for VEGF-TKI activity were recorded. Results: Compound 5 exhibited the highest interaction energy when docked against Sorafenib, While Compound 9 showed the highest interaction energy when docked against MTX with the perfect binding mode. Comparable results were also obtained for the ADMET study. Most of the compounds showed absorption within (95-99) zone which varies according to the type of substituents. Conclusions: The Substituted Thiazole Analogues could be a suitable template for antitumor drugs that possess enhanced bioavailability and act as DHFR and VEGF-TK inhibitors.

Keywords: anti-tumor agents, DHFR, drug design, molecular modeling, VEGFR-TKIs

Procedia PDF Downloads 236

Authors: Carmen Sica, Elena M. Scalisi, Sara Ignoto, Ludovica Palmeri, Martina Contino, Greta Ferruggia, Antonio Salvaggio, Santi C. Pavone, Gino Sorbello, Loreto Di Donato, Roberta Pecoraro, Maria V. Brundo

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Recently, a rise in the use of wireless internet technologies such as Wi-Fi and 5G routers/modems have been demonstrated. These devices emit a considerable amount of electromagnetic radiation (EMR), which could interact with the male reproductive system either by thermal or non-thermal mechanisms. The aim of this study was to investigate the direct in vitro influence of 5G radiation on sperm quality in Mytilus galloprovincialis, considered an excellent model for reproduction studies. The experiments at 27 GHz were conducted by using a no commercial high gain pyramidal horn antenna. To evaluate the specific absorption rate (SAR), a numerical simulation has been performed. The resulting incident power density was significantly lower than the power density limit of 10 mW/cm2 set by the international guidelines as a limit for nonthermal effects above 6 GHz. However, regarding temperature measurements of the aqueous sample, it has been verified an increase of 0.2°C, compared to the control samples. This very low-temperature increase couldn’t interfere with experiments. For experiments, sperm samples taken from sexually mature males of Mytilus galloprovincialis were placed in artificial seawater, salinity 30 + 1% and pH 8.3 filtered with a 0.2 m filter. After evaluating the number and quality of spermatozoa, sperm cells were exposed to electromagnetic fields a 27GHz. The effect of exposure on sperm motility and quality was evaluated after 10, 20, 30 and 40 minutes with a light microscope and also using the Eosin test to verify the vitality of the gametes. All the samples were performed in triplicate and statistical analysis was carried out using one-way analysis of variance (ANOVA) with Turkey test for multiple comparations of means to determine differences of sperm motility. A significant decrease (30%) in sperm motility was observed after 10 minutes of exposure and after 30 minutes, all sperms were immobile and not vital. Due to little literature data about this topic, these results could be useful for further studies concerning a great diffusion of these new technologies.

Keywords: mussel, spermatozoa, sperm motility, millimeter waves

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Authors: Supreet Singh, Manpreet Kaur, Manoj Kumar

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High temperature corrosion is an imperative material degradation method experienced in thermal power plants and other energy generation sectors. Metallic materials such as ferritic steels have special properties such as easy fabrication and machinibilty, low cost, but a serious drawback of these materials is the worsening in properties initiating from the interaction with the environments. The metallic materials do not endure higher temperatures for extensive period of time because of their poor corrosion resistance. Friction Stir Processing (FSP), has emerged as the potent surface modification means and control of microstructure in thermo mechanically heat affecting zones of various metal alloys. In the current research work, FSP was done on the boiler tube of SA 210 Grade A1 material which is regularly used by thermal power plants. The strengthening of SA210 Grade A1 boiler steel through microstructural refinement by Friction Stir Processing (FSP) and analyze the effect of the same on high temperature corrosion behavior. The high temperature corrosion performance of the unprocessed and the FSPed specimens were evaluated in the laboratory using molten salt environment of Na₂SO₄-82%Fe₂(SO₄). The unprocessed and FSPed low carbon steel Gr A1 evaluation was done in terms of microstructure, corrosion resistance, mechanical properties like hardness- tensile. The in-depth characterization was done by EBSD, SEM/EDS and X-ray mapping analyses with an aim to propose the mechanism behind high temperature corrosion behavior of the FSPed steel.

Keywords: boiler steel, characterization, corrosion, EBSD/SEM/EDS/XRD, friction stir processing

Procedia PDF Downloads 238

Authors: Mohamed Moussaoui, Mouna Baassi, Soukayna Baammi, Hatim Soufi, Mohammed Salah, Rachid Daoud, Achraf EL Allali, Mohammed Elalaoui Belghiti, Said Belaaouad

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The present study aims to investigate the quantitative structure-activity relationship (QSAR) of a series of Thiazole derivatives reported as anticancer agents (hepatocellular carcinoma), using principally the electronic descriptors calculated by the density functional theory (DFT) method and by applying the multiple linear regression method. The developed model showed good statistical parameters (R²= 0.725, R²ₐ𝒹ⱼ= 0.653, MSE = 0.060, R²ₜₑₛₜ= 0.827, Q²𝒸ᵥ = 0.536). The energy of the highest occupied molecular orbital (EHOMO) orbital, electronic energy (TE), shape coefficient (I), number of rotatable bonds (NROT), and index of refraction (n) were revealed to be the main descriptors influencing the anti-cancer activity. Additional Thiazole derivatives were then designed and their activities and pharmacokinetic properties were predicted using the validated QSAR model. These designed molecules underwent evaluation through molecular docking (MD) and molecular dynamic (MD) simulations, with binding affinity calculated using the MMPBSA script according to a 100 ns simulation trajectory. This process aimed to study both their affinity and stability towards Cyclin-Dependent Kinase 2 (CDK2), a target protein for cancer disease treatment. The research concluded by identifying four CDK2 inhibitors - A1, A3, A5, and A6 - displaying satisfactory pharmacokinetic properties. MDs results indicated that the designed compound A5 remained stable in the active center of the CDK2 protein, suggesting its potential as an effective inhibitor for the treatment of hepatocellular carcinoma. The findings of this study could contribute significantly to the development of effective CDK2 inhibitors.

Keywords: QSAR, ADMET, Thiazole, anticancer, molecular docking, molecular dynamic simulations, MMPBSA calculation

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Authors: Owonikoko Abayomi Dele

Abstract:

Epilepsy is an unresolved disease that needs urgent attention. It is a brain disorder that affects over sixty-five (65) million people around the globe. Despite the availability of commercial anti-epileptic drugs, the war against this unmet condition is yet to be resolved. Most epilepsy patients are resistant to available anti-epileptic medications thus the need for affordable novel therapy against epilepsy is a necessity. Numerous phytochemicals have been reported for their potency, efficacy and safety as therapeutic agents against many diseases. This study investigated 99 isolated phytochemicals from Chasmanthera dependens and Carissa edulis against carbonic anhydrase (ii) drug target. The absorption, distribution, metabolism, excretion and toxicity (ADMET) of the isolated compounds were examined using admet SAR-2 web server while Swiss ADME was used to analyze the oral bioavailability, drug-likeness and lead-likeness properties of the selected leads. PASS web server was used to predict the biological activities of selected leads while other important physicochemical properties and interactions of the selected leads with the active site of the target after successful molecular docking simulation with the pyrx virtual screening tool were also examined. The results of these study identified seven lead compounds; C49- alpha-carissanol (-7.6 kcal/mol), C13- Catechin (-7.4 kcal/mol), C45- Salicin (-7.4 kcal/mol), C6- Bisnorargemonine (-7.3 kcal/mol), C36- Pallidine (-7.1 kcal/mol), S4- Lacosamide (-7.1 kcal/mol), and S7- Acetazolamide (-6.4 kcal/mol) for CA II (3HS4 receptor). These leads compounds are probable inhibitors of this drug target due to the observed good binding affinities and favourable interactions with the active site of the drug target, excellent ADMET profiles, PASS Properties, drug-likeness, lead-likeness and oral bioavailability properties. The identified leads have better binding energies as compared to the binding energies of the two standards. Thus, seven identified lead compounds can be developed further towards the development of new anti-epileptic medications.

Keywords: drug-likeness, phytochemicals, carbonic anhydrases, metalloeazymes, active site, ADMET

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Authors: Chong Zhang, Guoming Tang, Bin Ge, Jiuyang Tang

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With the fast growing road traffic and increasingly severe traffic congestion, more and more citizens choose to use the public transportation for daily travelling. Meanwhile, the shared bike provides a convenient option for the first and last mile to the public transit. As of 2016, over one thousand cities around the world have deployed the bike-sharing system. The combination of these two transportations have stimulated the development of each other and made significant contribution to the reduction of carbon footprint. A lot of work has been done on mining the riding behaviors in various bike-sharing systems. Most of them, however, treated the bike-sharing system as an isolated system and thus their results provide little reference for the public transit construction and optimization. In this work, we treat the bike-sharing and public transit as a whole and investigate the customers’ bike-and-ride behaviors. Specifically, we develop a spatio-temporal traffic delivery model to study the riding patterns between the two transportation systems and explore the traffic characteristics (e.g., distributions of customer arrival/departure and traffic peak hours) from the time and space dimensions. During the model construction and evaluation, we make use of large open datasets from real-world bike-sharing systems (the CitiBike in New York, GoBike in San Francisco and BIXI in Montreal) along with corresponding public transit information. The developed two-dimension traffic model, as well as the mined bike-and-ride behaviors, can provide great help to the deployment of next-generation intelligent transportation systems.

Keywords: riding pattern mining, bike-sharing system, public transportation, bike-and-ride behavior

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Authors: M. M. Alhaji, M. Alhassan, A. M. Yahaya

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Soil engineers pay very little or no attention to variation in the mineralogical and consequently, the geotechnical properties of overburden with depth on basement complexes, a situation which can lead to sudden failure of civil engineering structures. Soil samples collected at depths ranging from 0.5m to 4.0m at 0.5m intervals, from a trial pit dogged manually to depth of 4.0m on an overburden over gneiss basement complex, was evaluated for physico-chemical, mineralogical and physical properties. This is to determine the variation of these properties with depth within the profile of the strata. Results showed that sodium amphibolite and feldspar, which are both primary minerals dominate the overall profile of the overburden. Carbon which dominates the lower profile of the strata was observed to alter to gregorite at upper section of the profile. Organic matter contents and cation exchange capacity reduces with increase in depth while lost on ignition and pH were relatively constant with depth. The index properties, as well as natural moisture contents, increases from 0.5m to between 1.0m to 1.5m depth after which the values reduced to constant values at 3.0m depth. The grain size analysis shows high composition of sand sized particles with silts of low to non-plasticity. The maximum dry density (MDD) values are generally relatively high and increases from 2.262g/cm³ at 0.5m depth to 2.410g/cm³ at 4.0m depth while the optimum moisture content (OMC) reduced from 9.8% at 0.5m depth to 6.7% at 4.0m depth.

Keywords: Gneiss basement complex, mineralogical properties, North Central Nigeria, physico-chemical properties, physical properties, overburden soil

Procedia PDF Downloads 148