Search results for: Ethylene Oxide

Authors: E. Al-Essa, R. Bello-Mendoza, D. G. Wareham

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Anaerobic batch experiments were conducted to investigate the effect of magnetite-supplementation (7 mM) on methane production from digested sludge undergoing two different microbial growth phases, namely fresh sludge (exponential growth phase) and degassed sludge (endogenous decay phase). Three different particle sizes were assessed: small (50 - 150 nm), medium (168 – 490 nm) and large (800 nm - 4.5 µm) particles. Results show that, in the case of the fresh sludge, magnetite significantly enhanced the methane production rate (up to 32%) and reduced the lag phase (by 15% - 41%) as compared to the control, regardless of the particle size used. However, the cumulative methane produced at the end of the incubation was comparable in all treatment and control bottles. In the case of the degassed sludge, only the medium-sized magnetite particles increased significantly the methane production rate (12% higher) as compared to the control. Small and large particles had little effect on the methane production rate but did result in an extended lag phase which led to significantly lower cumulative methane production at the end of the incubation period. These results suggest that magnetite produces a clear and positive effect on methane production only when an active and balanced microbial community is present in the anaerobic digester. It is concluded that, (i) the effect of magnetite particle size on increasing the methane production rate and reducing lag phase duration is strongly influenced by the initial metabolic state of the microbial consortium, and (ii) the particle size would positively affect the methane production if it is provided within the nanometer size range.

Keywords: Anaerobic digestion, iron oxide (Fe3O4), methanogenesis, nanoparticle.

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Authors: Wehash, F. E., Ismail I. Abo-Ghanema, Rasha Mohamed Saleh

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This study was conducted to evaluate the anti-diabetic properties of ethanolic extract of two plants commonly used in folk medicine, Mormodica charantia (bitter melon) and Trigonella foenum-graecum (fenugreek). The study was performed on STZinduced diabetic rats (DM type-I). Plant extracts of these two plants were given to STZ diabetic rats at the concentration of 500 mg/kg body weight ,50 mg/kg body weight respectively. Cidophage® (metformin HCl) were administered to another group to support the results at a dose of 500 mg/kg body weight, the ethanolic extracts and Cidophage administered orally once a day for four weeks using a stomach tube and; serum samples were obtained for biochemical analysis. The extracts caused significant decreases in glucose levels compared with diabetic control rats. Insulin secretions were increased after 4 weeks of treatment with Cidophage® compared with the control non-diabetic rats. Levels of AST and ALT liver enzymes were normalized by all treatments. Decreases in liver cholesterol, triglycerides, and LDL in diabetic rats were observed with all treatments. HDL levels were increased by the treatments in the following order: bitter melon, Cidophage®, and fenugreek. Creatinine levels were reduced by all treatments. Serum nitric oxide and malonaldehyde levels were reduced by all extracts. GSH levels were increased by all extracts. Extravasation as measured by the Evans Blue test increased significantly in STZ-induced diabetic animals. This effect was reversed by ethanolic extracts of bitter melon or fenugreek.

Keywords: Cidophage®, Diabetic rats, Mormodica charantia, Trigonella foenum-graecum

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Authors: D. Krishnaveni, M. Geetha Priya

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Application of reversible logic in integrated circuits results in the improved optimization of power consumption. This technology can be put into use in a variety of low power applications such as quantum computing, optical computing, nano-technology, and Complementary Metal Oxide Semiconductor (CMOS) Very Large Scale Integrated (VLSI) design etc. Logic gates are the basic building blocks in the design of any logic network and thus integrated circuits. In this paper, reversible Dual Key Gate (DKG) and Dual key Gate Pair (DKGP) gates that work singly as full adder/full subtractor are used to realize the basic building blocks of logic circuits. Reversible full adder/subtractor and parallel adder/ subtractor are designed using other reversible gates available in the literature and compared with that of DKG & DKGP gates. Efficient performance of reversible logic circuits relies on the optimization of the key parameters viz number of constant inputs, garbage outputs and number of reversible gates. The full adder/subtractor and parallel adder/subtractor design with reversible DKGP and DKG gates results in least number of constant inputs, garbage outputs, and number of reversible gates compared to the other designs. Thus, this paper provides a threshold to build more complex arithmetic systems using these reversible logic gates, leading to the enhanced performance of computing systems.

Keywords: Low power CMOS, quantum computing, reversible logic gates, full adder, full subtractor, parallel adder/subtractor, basic gates, universal gates.

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Authors: Anurag Gaur, Nidhi, Shashi Sharma

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Targeted drug delivery is a method of delivering medication to a patient in a manner that increases the concentration of the medication in some parts of the body relative to others. Targeted drug delivery seeks to concentrate the medication in the tissues of interest while reducing the relative concentration of the medication in the remaining tissues. This improves efficacy of the while reducing side effects. In the present work, we investigate the effect of magnetic field, flow rate and particle concentration on the capturing of magnetic particles transported in a stent implanted fluidic channel. Iron oxide magnetic nanoparticles (Fe3O4) nanoparticles were synthesized via co-precipitation method. The synthesized Fe3O4 nanoparticles were added in the de-ionized (DI) water to prepare the Fe3O4 magnetic particle suspended fluid. This fluid is transported in a cylindrical tube of diameter 8 mm with help of a peristaltic pump at different flow rate (25-40 ml/min). A ferromagnetic coil of SS 430 has been implanted inside the cylindrical tube to enhance the capturing of magnetic nanoparticles under magnetic field. The capturing of magnetic nanoparticles was observed at different magnetic magnetic field, flow rate and particle concentration. It is observed that capture efficiency increases from 47-67% at magnetic field 2-5kG, respectively at particle concentration 0.6mg/ml and at flow rate 30 ml/min. However, the capture efficiency decreases from 65 to 44% by increasing the flow rate from 25 to 40 ml/min, respectively. Furthermore, it is observed that capture efficiency increases from 51 to 67% by increasing the particle concentration from 0.3 to 0.6 mg/ml, respectively.

Keywords: Capture efficiency, Implant assisted-Magnetic drug targeting (IA-MDT), Magnetic nanoparticles, in vitro study.

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Authors: N. V. Toan, S. Sangu, T. Saitoh, N. Inomata, T. Ono

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This paper presents the design and fabrication of an optical window for an optical modulator toward image sensing applications. An optical window consists of micrometer-order SiO2 capillaries (porous solid) that can modulate transmission light intensity by moving the liquid in and out of porous solid. A high optical transmittance of the optical window can be achieved due to refractive index matching when the liquid is penetrated into the porous solid. Otherwise, its light transmittance is lower because of light reflection and scattering by air holes and capillary walls. Silicon capillaries fabricated by deep reactive ion etching (DRIE) process are completely oxidized to form the SiO2 capillaries. Therefore, high aspect ratio SiO2 capillaries can be achieved based on silicon capillaries formed by DRIE technique. Large compressive stress of the oxide causes bending of the capillary structure, which is reduced by optimizing the design of device structure. The large stress of the optical window can be released via thin supporting beams. A 7.2 mm x 9.6 mm optical window area toward a fully integrated with the image sensor format is successfully fabricated and its optical transmittance is evaluated with and without inserting liquids (ethanol and matching oil). The achieved modulation range is approximately 20% to 35% with and without liquid penetration in visible region (wavelength range from 450 nm to 650 nm).

Keywords: Thermal oxidation process, SiO2 capillaries, optical window, light transmittance, image sensor, liquid penetration.

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Authors: Perumal Kumar, Rajamohan Ganesan

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Addition of milli or micro sized particles to the heat transfer fluid is one of the many techniques employed for improving heat transfer rate. Though this looks simple, this method has practical problems such as high pressure loss, clogging and erosion of the material of construction. These problems can be overcome by using nanofluids, which is a dispersion of nanosized particles in a base fluid. Nanoparticles increase the thermal conductivity of the base fluid manifold which in turn increases the heat transfer rate. Nanoparticles also increase the viscosity of the basefluid resulting in higher pressure drop for the nanofluid compared to the base fluid. So it is imperative that the Reynolds number (Re) and the volume fraction have to be optimum for better thermal hydraulic effectiveness. In this work, the heat transfer enhancement using aluminium oxide nanofluid using low and high volume fraction nanofluids in turbulent pipe flow with constant wall temperature has been studied by computational fluid dynamic modeling of the nanofluid flow adopting the single phase approach. Nanofluid, up till a volume fraction of 1% is found to be an effective heat transfer enhancement technique. The Nusselt number (Nu) and friction factor predictions for the low volume fractions (i.e. 0.02%, 0.1 and 0.5%) agree very well with the experimental values of Sundar and Sharma (2010). While, predictions for the high volume fraction nanofluids (i.e. 1%, 4% and 6%) are found to have reasonable agreement with both experimental and numerical results available in the literature. So the computationally inexpensive single phase approach can be used for heat transfer and pressure drop prediction of new nanofluids.

Keywords: Heat transfer intensification, nanofluid, CFD, friction factor

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Authors: S. S. Sravanthi, Swati Ghosh Acharyya

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Automotive light weighting is of major prominence in the current times due to its contribution in improved fuel economy and reduced environmental pollution. Various arc welding technologies are being employed in the production of automobile components with reduced weight. The present study is of practical importance since it involves preferential substitution of Zinc coated mild steel with a light weight alloy such as 6061 Aluminium by means of Gas Metal Arc Welding (GMAW) – Brazing technique at different processing parameters. However, the fabricated joints have shown the generation of Al – Fe layer at the interfacial regions which was confirmed by the Scanning Electron Microscope and Energy Dispersion Spectroscopy. These Al-Fe compounds not only affect the mechanical strength, but also predominantly deteriorate the corrosion resistance of the joints. Hence, it is essential to understand the phases formed in this layer and their crystal structure. Micro area X - ray diffraction technique has been exclusively used for this study. Moreover, the crevice corrosion analysis at the joint interfaces was done by exposing the joints to 5 wt.% FeCl₃ solution at regular time intervals as per ASTM G 48-03. The joints have shown a decreased crevice corrosion resistance with increased heat intensity. Inner surfaces of welds have shown severe oxide cracking and a remarkable weight loss when exposed to concentrated FeCl₃. The weight loss was enhanced with decreased filler wire feed rate and increased heat intensity. 

Keywords: Automobiles, welding, corrosion, lap joints, Micro XRD.

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Authors: Ana Caroliny Vieira da Costa, Marta Suely Madruga

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In Brazil, there is a diverse fauna of social bees, known by Meliponinae or native stingless bees. These bees are important for providing a differentiated product, especially regarding unique sweetness, flavor, and aroma. However, information about the volatile fraction in honey produced by stingless native bees is still lacking. The aim of this work was to characterize the volatile compound profile of monofloral honey produced by jandaíra bees (Melipona subnitida Ducke) which used chanana (Turnera ulmifolia L.), malícia (Mimosa quadrivalvis) and algaroba (Prosopis juliflora (Sw.) DC) as their floral sources; and by uruçu bees (Melipona scutellaris Latrelle), which used chanana (Turnera ulmifolia L.), malícia (Mimosa quadrivalvis) and angico (Anadenanthera colubrina) as their floral sources. The volatiles were extracted using HS-SPME-GC-MS technique. The condition for the extraction was: equilibration time of 15 minutes, extraction time of 45 min and extraction temperature of 45°C. Through the results obtained, it was observed that the floral source had a strong influence on the aroma profile of the honey under evaluation, since the chemical profiles were marked primarily by the classes of terpenes, norisoprenoids, and benzene derivatives. Furthermore, the results obtained suggest the existence of differentiator compounds and potential markers for the botanical sources evaluated, such as linalool, D-sylvestrene, rose oxide and benzenethanol. These reports represent a valuable contribution to certifying the authenticity of those honey and provides for the first time, information intended for the construction of chemical knowledge of the aroma and flavor that characterize these honey produced in Brazil.

Keywords: Aroma, honey, semiarid, stingless, volatiles.

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Authors: L. Basha, E. Gjika

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This study is focused on analyzing climate change in Albania and its potential effects on cereal yields. Initially, monthly temperature and rainfalls in Albania were studied for the period 1960-2021. Climacteric variables are important variables when trying to model cereal yield behavior, especially when significant changes in weather conditions are observed. For this purpose, in the second part of the study, linear and nonlinear models explaining cereal yield are constructed for the same period, 1960-2021. The multiple linear regression analysis and lasso regression method are applied to the data between cereal yield and each independent variable: average temperature, average rainfall, fertilizer consumption, arable land, land under cereal production, and nitrous oxide emissions. In our regression model, heteroscedasticity is not observed, data follow a normal distribution, and there is a low correlation between factors, so we do not have the problem of multicollinearity. Machine learning methods, such as Random Forest (RF), are used to predict cereal yield responses to climacteric and other variables. RF showed high accuracy compared to the other statistical models in the prediction of cereal yield. We found that changes in average temperature negatively affect cereal yield. The coefficients of fertilizer consumption, arable land, and land under cereal production are positively affecting production. Our results show that the RF method is an effective and versatile machine-learning method for cereal yield prediction compared to the other two methods: multiple linear regression and lasso regression method.

Keywords: Cereal yield, climate change, machine learning, multiple regression model, random forest.

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Authors: Abdulhassan Abd. K, Sattar Al-Jabair, Khalid Sultan

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We have measured the pressure drop and convective heat transfer coefficient of water – based AL(25nm),AL2O3(30nm) and CuO(50nm) Nanofluids flowing through a uniform heated circular tube in the fully developed laminar flow regime. The experimental results show that the data for Nanofluids friction factor show a good agreement with analytical prediction from the Darcy's equation for single-phase flow. After reducing the experimental results to the form of Reynolds, Rayleigh and Nusselt numbers. The results show the local Nusselt number and temperature have distribution with the non-dimensional axial distance from the tube entry. Study decided that thenNanofluid as Newtonian fluids through the design of the linear relationship between shear stress and the rate of stress has been the study of three chains of the Nanofluid with different concentrations and where the AL, AL2O3 and CuO – water ranging from (0.25 - 2.5 vol %). In addition to measuring the four properties of the Nanofluid in practice so as to ensure the validity of equations of properties developed by the researchers in this area and these properties is viscosity, specific heat, and density and found that the difference does not exceed 3.5% for the experimental equations between them and the practical. The study also demonstrated that the amount of the increase in heat transfer coefficient for three types of Nano fluid is AL, AL2O3, and CuO – Water and these ratios are respectively (45%, 32%, 25%) with insulation and without insulation (36%, 23%, 19%), and the statement of any of the cases the best increase in heat transfer has been proven that using insulation is better than not using it. I have been using three types of Nano particles and one metallic Nanoparticle and two oxide Nanoparticle and a statement, whichever gives the best increase in heat transfer.

Keywords: Newtonian, NUR factor, Brownian motion

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Authors: Yingjun Ruan, Qingrong Liu, Weiguo Zhou, Toshiyuki Watanabe

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This paper has examined the energy consumption characteristics in six different buildings including apartments, offices, commercial buildings, hospitals, hotels and educational facilities. Then 5-hectare (50000m2) development site for respective building-s type has been assumed as case study to evaluate the introduction effect of Combined Heat and Power (CHP). All kinds of CHP systems with different distributed generation technologies including Gas Turbine (GT), Gas Engine (GE), Diesel Engine (DE), Solid Oxide Fuel Cell (SOFC) and Polymer Electrolyte Fuel Cell (PEFC), have been simulated by using HEATMAP, CHP system analysis software. And their primary energy utilization efficiency, energy saving ratio and CO2 reduction ratio have evaluated and compared respectively. The results can be summarized as follows: Various buildings have their special heat to power ratio characteristics. Matching the heat to power ratio demanded from an individual building with that supplied from a CHP system is very important. It is necessary to select a reasonable distributed generation technologies according to the load characteristics of various buildings. Distributed generation technologies with high energy generating efficiency and low heat to power ratio, like SOFC and PEFC is more reasonable selection for Building Combined Heat and Power (BCHP). CHP system is an attractive option for hotels, hospitals and apartments in Japan. The users can achieve high energy saving and environmental benefit by introducing a CHP systems. In others buildings, especially like commercial buildings and offices, the introduction of CHP system is unreasonable.

Keywords: Combined heat and power, distributed generation technologies, heat-tao-power ratio, energy saving ratio, CO2 reduction ratio

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Authors: P. Acosta-Santamaría, A. Ibatá-Soto, A. López-Vásquez

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Organic compounds in wastewaters coming from textile and pharmaceutical industry generated multiple harmful effects on the environment and the human health. One of them is the methyl orange (MeO), an azoic dye considered to be a recalcitrant compound. The heterogeneous photocatalysis emerges as an alternative for treating this type of hazardous compounds, through the generation of OH radicals using radiation and a semiconductor oxide. According to the author’s knowledge, catalysts such as TiO₂ doped with metals show high efficiency in degrading MeO; however, this presents economic limitations on industrial scale. Black sand can be considered as a naturally doped catalyst because in its structure is common to find compounds such as titanium, iron and aluminum oxides, also elements such as zircon, cadmium, manganese, etc. This study reports the photocatalytic activity of the mineral black sand used as semiconductor in the discoloration of MeO by oxidation and reduction photocatalytic techniques. For this, magnetic composites from the mineral were prepared (RM, M1, M2 and NM) and their activity were tested through MeO discoloration while TiO₂ was used as reference. For the fractions, chemical, morphological and structural characterizations were performed using Scanning Electron Microscopy with Energy Dispersive X-Ray (SEM-EDX), X-Ray Diffraction (XRD) and X-Ray Fluorescence (XRF) analysis. M2 fraction showed higher MeO discoloration (93%) in oxidation conditions at pH 2 and it could be due to the presence of ferric oxides. However, the best result to reduction process was using M1 fraction (20%) at pH 2, which contains a higher titanium percentage. In the first process, hydrogen peroxide (H₂O₂) was used as electron donor agent. According to the results, black sand mineral can be used as natural semiconductor in photocatalytic process. It could be considered as a photocatalyst precursor in such processes, due to its low cost and easy access.

Keywords: Black sand mineral, methyl orange, oxidation, photocatalysis, reduction.

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Authors: Neslihan Yuca, Nilgün Karatepe, Fahrettin Yakuphanoğlu

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Carbon nanotubes (CNTs) possess unique structural, mechanical, thermal and electronic properties, and have been proposed to be used for applications in many fields. However, to reach the full potential of the CNTs, many problems still need to be solved, including the development of an easy and effective purification procedure, since synthesized CNTs contain impurities, such as amorphous carbon, carbon nanoparticles and metal particles. Different purification methods yield different CNT characteristics and may be suitable for the production of different types of CNTs. In this study, the effect of different purification chemicals on carbon nanotube quality was investigated. CNTs were firstly synthesized by chemical vapor deposition (CVD) of acetylene (C2H2) on a magnesium oxide (MgO) powder impregnated with an iron nitrate (Fe(NO3)3·9H2O) solution. The synthesis parameters were selected as: the synthesis temperature of 800°C, the iron content in the precursor of 5% and the synthesis time of 30 min. The liquid phase oxidation method was applied for the purification of the synthesized CNT materials. Three different acid chemicals (HNO3, H2SO4, and HCl) were used in the removal of the metal catalysts from the synthesized CNT material to investigate the possible effects of each acid solution to the purification step. Purification experiments were carried out at two different temperatures (75 and 120 °C), two different acid concentrations (3 and 6 M) and for three different time intervals (6, 8 and 15 h). A 30% H2O2 : 3M HCl (1:1 v%) solution was also used in the purification step to remove both the metal catalysts and the amorphous carbon. The purifications using this solution were performed at the temperature of 75°C for 8 hours. Purification efficiencies at different conditions were evaluated by thermogravimetric analysis. Thermal and electrical properties of CNTs were also determined. It was found that the obtained electrical conductivity values for the carbon nanotubes were typical for organic semiconductor materials and thermal stabilities were changed depending on the purification chemicals.

Keywords: Carbon nanotubes, purification, acid digestion, thermalstability, electrical conductivity

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Authors: Z. Gholamzadeh, A. Zali, S. A. H. Feghhi, C. Tenreiro, Y. Kadi, M. Rezazadeh, M. Aref

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Most HWRs currently use natural uranium fuel. Using enriched uranium fuel results in a significant improvement in fuel cycle costs and uranium utilization. On the other hand, reactivity changes of HWRs over the full range of operating conditions from cold shutdown to full power are small. This reduces the required reactivity worth of control devices and minimizes local flux distribution perturbations, minimizing potential problems due to transient local overheating of fuel. Analyzing heavy water effectiveness on neutronic parameters such as enrichment requirements, peaking factor and reactivity is important and should pay attention as primary concepts of a HWR core designing. Two nuclear nuclear reactors of CANDU-type and hexagonal-type reactor cores of 33 fuel assemblies and 19 assemblies in 1.04 P/D have been respectively simulated using MCNP-4C code. Using heavy water and light water as moderator have been compared for achieving less reactivity insertion and enrichment requirements. Two fuel matrixes of (232Th/235U)O2 and (238/235U)O2 have been compared to achieve more economical and safe design. Heavy water not only decreased enrichment needs, but it concluded in negative reactivity insertions during moderator density variations. Thorium oxide fuel assemblies of 2.3% enrichment loaded into the core of heavy water moderator resulted in 0.751 fission to absorption ratio and peaking factor of 1.7 using. Heavy water not only provides negative reactivity insertion during temperature raises which changes moderator density but concluded in 2 to 10 kg reduction of enrichment requirements, depend on geometry type.

Keywords: MCNP-4C, Reactor core, Multiplication factor, Reactivity, Peaking factor.

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Authors: Mustafa M. Donma, Sule G. Kacmaz, Ahsen Yilmaz, Savas Guzel, Orkide Donma

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Obesity, as excessive fat accumulation in the body, is a global health problem. The prevalence of obesity and its complications increase due to easy access to high-energy food and decreased physical activity. Cardiovascular diseases (CVDs) constitute a significant part of obesity-related morbidity and mortality. Since the effects of obesity on cardiovascular system may start during childhood without clinical findings, elucidating the mechanisms of cardiovascular changes associated with childhood obesity became more important. In this study, we aimed to investigate some biochemical parameters which may be involved in obesity-related pathologic processes of CVDs. One hundred and seventy-seven children were included in the study, and they were divided into four groups based upon WHO criteria and presence of the metabolic syndrome (MetS): children with normal-BMI, obesity, morbid obesity, and MetS. High-sensitive cardiac troponin T (hs-cTnT), cardiac myosin binding protein C (cMyBP-C), trimethylamine N-oxide (TMAO), soluble tumor necrosis factor-like weak inducer (sTWEAK), chromogranin A (CgA), multimerin-2 levels, and other biochemical parameters were measured in serum samples. Anthropometric measurements and clinical findings of the children were recorded. Statistical analyses were performed. Children with normal-BMI had significantly higher CgA levels than children with obesity, morbid obesity, and MetS (p < 0.05). Cardiac MyBP-C levels of children with MetS were significantly higher than of children with normal-BMI and OB children (p < 0.05). There was no significant difference in hs-cTnT, sTWEAK, TMAO and multimerin-2 between the groups (p>0.05). These results suggested that cMyBP-C and CgA molecules may be involved in the pathogenesis of obesity-related CVDs.

Keywords: biomarker, cardiovascular diseases, children, obesity

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Authors: H. Shamoradifar, B. Teimuri, P. Parvaresh, S. Mohammadi

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One of the main characteristics of Heavy Water Moderated Reactors is their high production of plutonium. This article demonstrates the possibility of reduction of plutonium and other actinides in Heavy Water Research Reactor. Among the many ways for reducing plutonium production in a heavy water reactor, in this research, changing the fuel from natural Uranium fuel to Thorium-Uranium mixed fuel was focused. The main fissile nucleus in Thorium-Uranium fuels is U-233 which would be produced after neutron absorption by Th-232, so the Thorium-Uranium fuels have some known advantages compared to the Uranium fuels. Due to this fact, four Thorium-Uranium fuels with different compositions ratios were chosen in our simulations; a) 10% UO₂-90% THO₂ (enriched= 20%); b) 15% UO₂-85% THO₂ (enriched= 10%); c) 30% UO₂-70% THO₂ (enriched= 5%); d) 35% UO₂-65% THO₂ (enriched= 3.7%). The natural Uranium Oxide (UO₂) is considered as the reference fuel, in other words all of the calculated data are compared with the related data from Uranium fuel. Neutronic parameters were calculated and used as the comparison parameters. All calculations were performed by Monte Carol (MCNPX2.6) steady state reaction rate calculation linked to a deterministic depletion calculation (CINDER90). The obtained computational data showed that Thorium-Uranium fuels with four different fissile compositions ratios can satisfy the safety and operating requirements for Heavy Water Research Reactor. Furthermore, Thorium-Uranium fuels have a very good proliferation resistance and consume less fissile material than uranium fuels at the same reactor operation time. Using mixed Thorium-Uranium fuels reduced the long-lived α emitter, high radiotoxic wastes and the radio toxicity level of spent fuel.

Keywords: Burn-up, heavy water reactor, minor actinides, Monte Carlo, proliferation resistance.

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Authors: Manfred Szerencsits, Christine Weinberger, Maximilian Kuderna, Franz Feichtinger, Eva Erhart, Stephan Maier

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Cover or catch crops have beneficial effects for soil, water, erosion, etc. If harvested, they also provide feedstock for biogas without competition for arable land in regions, where only one main crop can be produced per year. On average gross energy yields of approx. 1300 m³ methane (CH₄) ha^-1 can be expected from 4.5 tonnes (t) of cover crop dry matter (DM) in Austria. Considering the total energy invested from cultivation to compression for biofuel use a net energy yield of about 1000 m³ CH₄ ha^-1 is remaining. With the straw of grain maize or Corn Cob Mix (CCM) similar energy yields can be achieved. In comparison to catch crops remaining on the field as green manure or to complete fallow between main crops the effects on soil, water and climate can be improved if cover crops are harvested without soil compaction and digestate is returned to the field in an amount equivalent to cover crop removal. In this way, the risk of nitrate leaching can be reduced approx. by 25% in comparison to full fallow. The risk of nitrous oxide emissions may be reduced up to 50% by contrast with cover crops serving as green manure. The effects on humus content and erosion are similar or better than those of cover crops used as green manure when the same amount of biomass was produced. With higher biomass production the positive effects increase even if cover crops are harvested and the only digestate is brought back to the fields. The ecological footprint of arable farming can be reduced by approx. 50% considering the substitution of natural gas with CH₄ produced from cover crops.

Keywords: Biogas, cover crops, catch crops, land use competition, sustainable agriculture.

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Authors: Syahril Ridzuan Ab Rahim, Ibrahim Ahmad, Mohd Azizi Chik, Ahmad Zafir Md. Rejab, and U. Hashim

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This research presents the development of simulation modeling for WIP management in semiconductor fabrication. Manufacturing simulation modeling is needed for productivity optimization analysis due to the complex process flows involved more than 35 percent re-entrance processing steps more than 15 times at same equipment. Furthermore, semiconductor fabrication required to produce high product mixed with total processing steps varies from 300 to 800 steps and cycle time between 30 to 70 days. Besides the complexity, expansive wafer cost that potentially impact the company profits margin once miss due date is another motivation to explore options to experiment any analysis using simulation modeling. In this paper, the simulation model is developed using existing commercial software platform AutoSched AP, with customized integration with Manufacturing Execution Systems (MES) and Advanced Productivity Family (APF) for data collections used to configure the model parameters and data source. Model parameters such as processing steps cycle time, equipment performance, handling time, efficiency of operator are collected through this customization. Once the parameters are validated, few customizations are made to ensure the prior model is executed. The accuracy for the simulation model is validated with the actual output per day for all equipments. The comparison analysis from result of the simulation model compared to actual for achieved 95 percent accuracy for 30 days. This model later was used to perform various what if analysis to understand impacts on cycle time and overall output. By using this simulation model, complex manufacturing environment like semiconductor fabrication (fab) now have alternative source of validation for any new requirements impact analysis.

Keywords: Advanced Productivity Family (APF), Complementary Metal Oxide Semiconductor (CMOS), Manufacturing Execution Systems (MES), Work In Progress (WIP).

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Authors: Himanshu Shekhar Maharana, S. K .Dash

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Economic Load Dispatch (ELD) proves to be a vital optimization process in electric power system for allocating generation amongst various units to compute the cost of generation, the cost of emission involving global warming gases like sulphur dioxide, nitrous oxide and carbon monoxide etc. In this dissertation, we emphasize ramp rate constriction factor based particle swarm optimization (RRCPSO) for analyzing various performance objectives, namely cost of generation, cost of emission, and a dual objective function involving both these objectives through the experimental simulated results. A 6-unit 30 bus IEEE test case system has been utilized for simulating the results involving improved weight factor advanced ramp rate limit constraints for optimizing total cost of generation and emission. This method increases the tendency of particles to venture into the solution space to ameliorate their convergence rates. Earlier works through dispersed PSO (DPSO) and constriction factor based PSO (CPSO) give rise to comparatively higher computational time and less good optimal solution at par with current dissertation. This paper deals with ramp rate and constriction factor based well defined ramp rate PSO to compute various objectives namely cost, emission and total objective etc. and compares the result with DPSO and weight improved PSO (WIPSO) techniques illustrating lesser computational time and better optimal solution. 

Keywords: Economic load dispatch, constriction factor based particle swarm optimization, dispersed particle swarm optimization, weight improved particle swarm optimization, ramp rate and constriction factor based particle swarm optimization.

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Authors: Sajjad H. Kasanagh, Perviz Ahmedzade, Alexander Fainleib, Taylan Gunay

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Modification of asphalt is a fundamental method around the world mainly on the purpose of providing more durable pavements which lead to diminish repairing cost during the lifetime of highways. Various polymers such as styrene-butadiene-styrene (SBS) and ethylene vinyl acetate (EVA) make up the greater parts of the all-over asphalt modifiers generally providing better physical properties of asphalt by decreasing temperature dependency which eventually diminishes permanent deformation on highways such as rutting. However, some waste and low-cost materials such as recycled plastics and ground rubber tire have been attempted to utilize in asphalt as modifier instead of manufactured polymer modifiers due to decreasing the eventual highway cost. On the other hand, the usage of recycled plastics has become a worldwide requirement and awareness in order to decrease the pollution made by waste plastics. Hence, finding an area in which recycling plastics could be utilized has been targeted by many research teams so as to reduce polymer manufacturing and plastic pollution. To this end, in this paper, thermoplastic dynamic vulcanizate (TDV) obtained from recycled post-consumer polyethylene and ground tire rubber (GTR) were used to provide an efficient modifier for asphalt which decreases the production cost as well and finally might provide an ecological solution by decreasing polymer disposal problems. TDV was synthesized by the chemists in the research group by means of the abovementioned components that are considered as compatible physical characteristic of asphalt materials. TDV modified asphalt samples having different rate of proportions of 3, 4, 5, 6, 7 wt.% TDV modifier were prepared. Conventional tests, such as penetration, softening point and roll thin film oven (RTFO) tests were performed to obtain fundamental physical and aging properties of the base and modified binders. The high temperature performance grade (PG) of binders was determined by Superpave tests conducted on original and aged binders. The multiple stress creep and recovery (MSCR) test which is relatively up-to-date method for classifying asphalts taking account of their elasticity abilities was carried out to evaluate PG plus grades of binders. The results obtained from performance grading, and MSCR tests were also evaluated together so as to make a comparison between the methods both aiming to determine rheological parameters of asphalt. The test results revealed that TDV modification leads to a decrease in penetration, an increase in softening point, which proves an increasing stiffness of asphalt. DSR results indicate an improvement in PG for modified binders compared to base asphalt. On the other hand, MSCR results that are compatible with DSR results also indicate an enhancement on rheological properties of asphalt. However, according to the results, the improvement is not as distinct as observed in DSR results since elastic properties are fundamental in MSCR. At the end of the testing program, it can be concluded that TDV can be used as modifier which provides better rheological properties for asphalt and might diminish plastic waste pollution since the material is 100% recycled.

Keywords: Asphalt, ground tire rubber, recycled polymer, thermoplastic dynamic vulcanized.

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Authors: V. P. Muhamed Shajudheen, K. Viswanathan, K. Anitha Rani, A. Uma Maheswari, S. Saravana Kumar

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In this paper, a simple chemical precipitation route for the preparation of titanium dioxide nanoparticles, synthesized by using titanium tetra isopropoxide as a precursor and polyvinyl pyrrolidone (PVP) as a capping agent, is reported. The Differential Scanning Calorimetry (DSC) and Thermo Gravimetric Analysis (TGA) of the samples were recorded and the phase transformation temperature of titanium hydroxide, Ti(OH)₄ to titanium oxide, TiO₂ was investigated. The as-prepared Ti(OH)₄ precipitate was annealed at 800°C to obtain TiO₂ nanoparticles. The thermal, structural, morphological and textural characterizations of the TiO₂ nanoparticle samples were carried out by different techniques such as DSC-TGA, X-Ray Diffraction (XRD), Fourier Transform Infra-Red spectroscopy (FTIR), Micro Raman spectroscopy, UV-Visible absorption spectroscopy (UV-Vis), Photoluminescence spectroscopy (PL) and Field Effect Scanning Electron Microscopy (FESEM) techniques. The as-prepared precipitate was characterized using DSC-TGA and confirmed the mass loss of around 30%. XRD results exhibited no diffraction peaks attributable to anatase phase, for the reaction products, after the solvent removal. The results indicate that the product is purely rutile. The vibrational frequencies of two main absorption bands of prepared samples are discussed from the results of the FTIR analysis. The formation of nanosphere of diameter of the order of 10 nm, has been confirmed by FESEM. The optical band gap was found by using UV-Visible spectrum. From photoluminescence spectra, a strong emission was observed. The obtained results suggest that this method provides a simple, efficient and versatile technique for preparing TiO₂ nanoparticles and it has the potential to be applied to other systems for photocatalytic activity.

Keywords: TiO2 nanoparticles, chemical precipitation route, phase transition, Fourier Transform Infra-Red spectroscopy, micro Raman spectroscopy, UV-Visible absorption spectroscopy, Photoluminescence spectroscopy, Field Effect Scanning Electron Microscopy.

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Authors: Mohd.F.Shabir, P. Tamilporai, B. Rajendra Prasath

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The fundamental aim of extended expansion concept is to achieve higher work done which in turn leads to higher thermal efficiency. This concept is compatible with the application of turbocharger and LHR engine. The Low Heat Rejection engine was developed by coating the piston crown, cylinder head inside with valves and cylinder liner with partially stabilized zirconia coating of 0.5 mm thickness. Extended expansion in diesel engines is termed as Miller cycle in which the expansion ratio is increased by reducing the compression ratio by modifying the inlet cam for late inlet valve closing. The specific fuel consumption reduces to an appreciable level and the thermal efficiency of the extended expansion turbocharged LHR engine is improved. In this work, a thermodynamic model was formulated and developed to simulate the LHR based extended expansion turbocharged direct injection diesel engine. It includes a gas flow model, a heat transfer model, and a two zone combustion model. Gas exchange model is modified by incorporating the Miller cycle, by delaying inlet valve closing timing which had resulted in considerable improvement in thermal efficiency of turbocharged LHR engines. The heat transfer model, calculates the convective and radiative heat transfer between the gas and wall by taking into account of the combustion chamber surface temperature swings. Using the two-zone combustion model, the combustion parameters and the chemical equilibrium compositions were determined. The chemical equilibrium compositions were used to calculate the Nitric oxide formation rate by assuming a modified Zeldovich mechanism. The accuracy of this model is scrutinized against actual test results from the engine. The factors which affect thermal efficiency and exhaust emissions were deduced and their influences were discussed. In the final analysis it is seen that there is an excellent agreement in all of these evaluations.

Keywords: Low Heat Rejection, Miller cycle.

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Authors: Manish Kumar Gautam, Raj Kumar Goel

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Delayed wound healing in diabetes is primarily associated with hyperglycemia, over-expression of inflammatory marker, oxidative stress and delayed collagen synthesis. This unmanaged wound is producing high economic burden on the society. Thus research is required to develop new and effective treatment strategies to deal with this emerging issue. Our present study incorporates the evaluation of wound healing effects of 50% ethanol extract of Ocimum sanctum (OSE) in streptozotocin (45mg/kg)-induced diabetic rats with concurrent wound ulcer. The animals showing diabetes (Blood glucose level >140 and <250 mg/dL) will be selected for wound healing study using standard dead space wound model. Wounds were created by implanting two polypropylene tubes (0.5 x 2.5 cm2 each), one on either side in the lumbar region on the dorsal surface of each rat. On the 10th postwounding day, the animals were sacrificed and granulation tissue formed on the implanted tubes was carefully dissected out and study the status of antioxidants (Superoxide dismutase, SOD and Glutathione, GSH) free radicals (Lipid peroxidation, LPO and nitric oxide, NO) acute inflammatory marker (myeloperoxidase, MPO) connective tissue determinants, hydroxyproline, hexosamine and hexuronic acid, which play a major role in wound healing and diabetes. Besides the anti-diabetic parameters (estimation of serum blood glucose, triglycerides and total cholesterol), the above parameters for wound healing were studied both in normal, untreated and OSE treated diabetic rats. The effects of extract on above parameters will be compared with known standard antioxidant (Vitamin E) and anti-diabetic (Glybenclamide) drugs. OSE 400 mg/kg substantiated by significantly decreased serum blood glucose, triglycerides and total cholesterol. OSE also decrease granulation tissue free radicals (LPO, 58.1% and NO, 52.7%) and myeloperoxidase (MPO, 63.3%), and enhanced antioxidants (GSH, 116.4% and SOD, 201.1%)

Keywords: Wound healing, diabetes, Ocimum sanctum, Antioxidant, Free radical, Myeloperoxidase

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Authors: Anna Pick Kiong Ling, Jia May Chin, Rhun Yian Koh, Ying Pei Wong

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Background: Uncontrolled inflammation may cause serious inflammatory diseases if left untreated. Non-steroidal anti-inflammatory drug (NSAIDs) is commonly used to inhibit pro-inflammatory enzymes, thus, reduce inflammation. However, long term administration of NSAIDs leads to various complications. Medicinal plants are getting more attention as it is believed to be more compatible with human body. One of them is a flavonoid-containing medicinal plants, Strobilanthes crispus which has been traditionally claimed to possess anti-inflammatory and antioxidant activities. Nevertheless, its anti-inflammatory activities are yet to be scientifically documented. Objectives: This study aimed to examine the anti-inflammatory activity of S. crispus by investigating its effects on intracellular oxidative stress and prostaglandin E₂ (PGE₂) levels. Materials and Methods: In this study, the Maximum Non-toxic Dose (MNTD) of methanol extract of both leaves and stems of S. crispus was first determined using 3-(4,5-dimethylthiazolyl-2)-2,5-diphenytetrazolium Bromide (MTT) assay. The effects of S. crispus extracts at MNTD and half MNTD (½MNTD) on intracellular ROS as well as PGE₂ levels in 1.0 µg/mL LPS-stimulated RAW 264.7 macrophages were then be measured using DCFH-DA and a competitive enzyme immunoassay kit, respectively. Results: The MNTD of leaf extract was determined as 700µg/mL while for stem was as low as 1.4µg/mL. When LPS-stimulated RAW 264.7 macrophages were subjected to the MNTD of S. crispus leaf extract, both intracellular ROS and PGE₂ levels were significantly reduced. In contrast, stem extract at both MNTD and ½MNTD did not significantly reduce the PGE₂ level, but significantly increased the intracellular ROS level. Conclusion: The methanol leaf extract of S. crispus may possess anti-inflammatory properties as it is able to significantly reduce the intracellular ROS and PGE₂ levels of LPS-stimulated cells. Nevertheless, further studies such as investigating the interleukin, nitric oxide and cytokine tumor necrosis factor-α (TNFα) levels has to be conducted to further confirm the anti-inflammatory properties of S. crispus.

Keywords: Anti-inflammatory, natural products, prostaglandin E2, reactive oxygen species.

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Authors: L.C. Ram, R.E. Masto, Smriti Singh, R.C. Tripathi, S.K. Jha, N.K. Srivastava, A.K. Sinha, V.A. Selvi, A. Sinha

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Coal will continue to be the predominant source of global energy for coming several decades. The huge generation of fly ash (FA) from combustion of coal in thermal power plants (TPPs) is apprehended to pose the concerns of its disposal and utilization. FA application based on its typical characteristics as soil ameliorant for agriculture and forestry is the potential area, and hence the global attempt. The inferences drawn suffer from the variations of ash characteristics, soil types, and agro-climatic conditions; thereby correlating the effects of ash between various plant species and soil types is difficult. Indian FAs have low bulk density, high water holding capacity and porosity, rich silt-sized particles, alkaline nature, negligible solubility, and reasonable plant nutrients. Findings of the demonstrations trials for more than two decades from lab/pot to field scale long-term experiments are developed as FA soil amendment technology (FASAT) by Central Institute of Mining and Fuel Research (CIMFR), Dhanbad. Performance of different crops and plant species in cultivable and problematic soils, are encouraging, eco-friendly, and being adopted by the farmers. FA application includes ash alone and in combination with inorganic/organic amendments; combination treatments including bio-solids perform better than FA alone. Optimum dose being up to 100 t/ha for cultivable land and up to/ or above 200 t/ha of FA for waste/degraded land/mine refuse, depending on the characteristics of ash and soil. The elemental toxicity in Indian FA is usually not of much concern owing to alkaline ashes, oxide forms of elements, and elemental concentration within the threshold limits for soil application. Combating toxicity, if any, is possible through combination treatments with organic materials and phytoremediation. Government initiatives through extension programme involving farmers and ash generating organizations need to be accelerated

Keywords: Fly ash, soil quality, CIMFR, FASAT, agriculture, forestry, toxicity, remediation

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Authors: Katie Emerson, Sara Perez-Ojalvo, Jim Komorowski, Danielle Greenberg

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The purpose of this study was to evaluate arginase activity levels in response to combinations of an inositol-stabilized arginine silicate (ASI; Nitrosigine®), L-arginine, and Inositol. Arginine acts as a vasodilator that promotes increased blood flow resulting in enhanced delivery of oxygen and nutrients to the brain and other tissues. Arginase, found in human serum, catalyzes the conversion of arginine to ornithine and urea, completing the last step in the urea cycle. Decreasing arginase levels maintains arginine and results in increased nitric oxide production. This study aimed to determine the most effective combination of ASI, L-arginine and inositol for minimizing arginase levels and therefore maximize ASI’s effect on cognition. Serum was taken from untreated healthy donors by separation from clotted factors. Arginase activity of serum in the presence or absence of test products was determined (QuantiChrom™, DARG-100, Bioassay Systems, Hayward CA). The remaining ultra-filtrated serum units were harvested and used as the source for the arginase enzyme. ASI alone or combined with varied levels of Inositol were tested as follows: ASI + inositol at 0.25 g, 0.5 g, 0.75 g, or 1.00 g. L-arginine was also tested as a positive control. All tests elicited changes in arginase activity demonstrating the efficacy of the method used. Adding L-arginine to serum from untreated subjects, with or without inositol only had a mild effect. Adding inositol at all levels reduced arginase activity. Adding 0.5 g to the standardized amount of ASI led to the lowest amount of arginase activity as compared to the 0.25 g, 0.75 g or 1.00g doses of inositol or to L-arginine alone. The outcome of this study demonstrates an interaction of the pairing of inositol with ASI on the activity of the enzyme arginase. We found that neither the maximum nor minimum amount of inositol tested in this study led to maximal arginase inhibition. Since the inhibition of arginase activity is desirable for product formulations looking to maintain arginine levels, the most effective amount of inositol was deemed preferred. Subsequent studies suggest this moderate level of inositol in combination with ASI leads to cognitive improvements including reaction time, executive function, and concentration.

Keywords: Arginine, blood flow, colorimetry, urea cycle.

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Authors: M. Allagoa, A. Al-Tabbaa

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The study explores the use of binders and additives, such as Portland cement, pulverized fuel ash, ground granulated blast furnace slag, and MgO, to reduce the concentration and leachability of pollutants in contaminated site soils. The research investigates their effectiveness and associated risks of binders, with a focus on Total Heavy Metals (THM) and Total Petroleum Hydrocarbon (TPH). The goal of this research is to evaluate the performance and effectiveness of binders and additives in remediating soil pollutants. The study aims to assess the suitability of the mixtures for ground improvement purposes, determine the optimal dosage, and investigate the associated risks. The research utilizes physical (unconfined compressive strength) and chemical tests (batch leachability test) to assess the efficacy of the binders and additives. A completely randomized design one-way ANOVA is used to determine the significance within mix binders of THM. The study also employs incremental lifetime cancer risk (ILCR) assessments and other indices to evaluate the associated risks. The study finds that Ground Granulated Blast Furnace Slag (GGBS): MgO is the most effective binder for remediation, particularly when using low dosages of MgO combined with higher dosages of GGBS binders on TPH. The results indicate that binders and additives can encapsulate and immobilize pollutants, thereby reducing their leachability and toxicity. The mean unconfined compressive strength of the soil ranges from 285.0-320.5 kPa, while THM levels with a combination of Ground granulated blast furnace slag and Magnesium oxide, Portland cement and Pulverised fuel ash were less than 10 µg/l. Portland cement was below 1 µg/l. The ILCR ranged from 6.77E-02 - 2.65E-01 and 5.444E-01 - 3.20 E+00, with the highest values observed under extreme conditions. The hazard index (HI), risk allowable daily dose intake (ADI), and risk chronic daily intake (CDI) were all less than 1 for the THM. The study identifies MgO as the best additive for use in soil remediation.

Keywords: Risk daily dose intake, risk chronic daily intake, incremental lifetime cancer risk, ILCR, novel binders, additives binders, hazard index.

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Authors: Eryati Darwin, Eka Fithra Elfi, Indria Hafizah

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Background: Physical exercise induces a pattern of hormonal and immunological responses that prevent endothelial dysfunction by maintaining the availability of nitric oxide (NO). Regular and moderate exercise stimulates NO release, that can be considered as protective factor of cardiovascular diseases, while strenuous exercise induces increased levels in a number of pro-inflammatory and anti-inflammatory cytokines. Pro-inflammatory cytokines tumor necrosis factor-α (TNF-α) triggers endothelial activation which results in an increased vascular permeability. Nuclear gene factor kappa B (NF-κB) activates biological effect of TNF-α. Aim of Study: To determine the effect of physical exercise on the endothelial and skeletal muscle, we measured the level of NF-κB on rats’ serum, macrophages, and myocytes after strenuous physical exercise. Methods: 30 male Rattus norvegicus in the age of eight weeks were randomly divided into five groups (each containing six), and there were treated groups (T) and control group (C). The treated groups obtain strenuous physical exercise by ran on treadmill at 32 m/minutes for 1 hour or until exhaustion. Blood samples, myocytes of gastrocnemius muscle, and intraperitoneal macrophages were collected sequentially. There were investigated immediately, 2 hours, 6 hours, and 24 hours (T1, T2, T3, and T4) after sacrifice. The levels of NF-κB were measured by ELISA methods. Results: From our study, we found that the levels of NF-κB on myocytes in treated group from which its specimen was taken immediately (T1), 2 hours after treadmill (T2), and 6 hours after treadmill (T3) were significantly higher than control group (p<0.05), while the group from which its specimen was taken 24 hours after treadmill, was no significantly different (p>0.05). Also on macrophages, NF-κB in treated groups T1, T2, and T3 was significantly higher than control group (p<0.05), but there was no difference between T4 and control group (p>0.05). The level of serum NF-κB was not significantly different between treatment group as well as compared to control group (p>0.05). Serum NF-κB was significantly higher than the level on macrophages and myocytes (p<0.05). Conclusion: This study demonstrated that strenuous physical exercise stimulates the activation of NF-κB that plays a role in vascular inflammation and muscular damage, and may be recovered after resting period.

Keywords: Endothelial function, inflammation, NF-κB, physical exercise.

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Authors: Inês Boticas, Diana P. Ferreira, Ana Eusébio, Carlos Silva, Pedro Magalhães, Ricardo Silva, Raul Fangueiro

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Since the beginning of the 20^th century, sportswear has a major contribution to the impact of fashion on our lives. Nowadays, the embracing of sportswear fashion/looks is undoubtedly noticeable, as the modern consumer searches for high comfort and linear aesthetics for its clothes. This compromise lead to the arise of the athleisure trend. Athleisure surges as a new style area that combines both wearability and fashion sense, differentiated from the archetypal sportswear, usually associated to “gym clothes”. Additionally, the possibility to functionalize and implement new technologies have shifted and progressively empowers the connection between the concepts of physical activities practice and well-being, allowing clothing to be more interactive and responsive with its surroundings. In this study, a design inspired in retro and urban lifestyle was envisioned, engineering textile structures that can respond to external stimuli. These structures are enhanced to be responsive to heat, water vapor and humidity, integrating shape memory polymers (SMP) to improve the breathability and heat-responsive behavior of the textiles and zinc oxide nanoparticles (ZnO NPs) to heighten the surface hydrophobic properties. The best results for hydrophobic exhibited superhydrophobic behavior with water contact angle (WAC) of more than 150 degrees. For the breathability and heat-response properties, SMP-coated samples showed an increase in water vapour permeability values of about 50% when compared with non SMP-coated samples. These innovative technological approaches were endorsed to design innovative clothing, in line with circular economy and eco-design principles, by assigning a substantial degree of mutability and versatility to the clothing. The development of a coat and shirt, in which different parts can be purchased separately to create multiple products, aims to combine the technicality of both the fabrics used and the making of the garments. This concept translates itself into a real constructive mechanism through the symbiosis of high-tech functionalities and the timeless design that follows the athleisure aesthetics.

Keywords: Breathability, sportswear and casual clothing, sustainable design, superhydrophobicity.

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Authors: Tomio Iwasaki, Yosuke Kawahito

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The adhesion strength and wettability at the interfaces between a polyetheretherketone (PEEK) resin and titanium dioxide (TiO2) have become more important because direct joining of PEEK resin and titanium (Ti), whose surface has usually the oxide (TiO2), is needed not only in vehicles such as airplanes, automobiles, and space vehicles, but also in medical devices such as implants. To realize strong joint between the PEEK resin and TiO2, the dependence of the adhesion strength and wettability on crystal orientations of rutile TiO2 were investigated by using molecular simulations. Molecular dynamics simulations were conducted by combining quantum-mechanics equation of electrons with Newton’s equation of motion of nuclear coordinates (atomic coordinates). By putting a PEEK-resin sphere on a rutile TiO2 surface and by heating the system to 650 K, the contact angles at the interfaces were calculated to evaluate the wettability. After the system is cooled to 300 K from 650 K, to evaluate the adhesin strength, the adhesive fracture energy is calculated as the difference between the energy of the PEEK-TiO2 attached state and that of the PEEK-TiO2 detached state. The results of the contact angles showed that PEEK resin on the TiO2(100) and that on the TiO2(001) surface has low wettability with large contact angles. On the other hand, PEEK resin on the TiO2(110) surface has high wettability with a small contact angle. The results of the adhesive fracture energies showed that the adhesion at the PEEK-resin/TiO2(100) and PEEK-resin/TiO2(001) interfaces are weak. On the other hand, the adhesion at the PEEK-resin/TiO2(110) interface is strong. To clarify the reason that the higher wettability and stronger adhesion are obtained at the PEEK/TiO2(110) interface than at the at the PEEK/TiO2(100) and PEEK/TiO2(001) interfaces, atomic configurations at the interfaces were visualized. The atomic configuration at the PEEK/TiO2(110) interface showed that the lattice-matched coherent interface is realized, and the atomic density is high. On the other hand, the atomic configuration at the PEEK/TiO2(001) interface showed the lattice-unmatched incoherent interface. The atomic configuration at the PEEK/TiO2(100) interface showed that the atomic density is very low although the lattice-matched interface is realized. Therefore, the lattice matching and the high atomic density at the PEEK/TiO2(001) interface are considered to be dominant factors in the high wettability and strong adhesion.

Keywords: Adhesion, direct joining, PEEK, TiO2, wettability.

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