Search results for: Properties
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 8972

Search results for: Properties

2072 Valorisation of Waste Chicken Feathers: Electrospun Antibacterial Nanoparticles-Embedded Keratin Composite Nanofibers

Authors: Lebogang L. R. Mphahlele, Bruce B. Sithole

Abstract:

Chicken meat is the highest consumed meat in south Africa, with a per capita consumption of >33 kg yearly. Hence, South Africa produces over 250 million kg of waste chicken feathers each year, the majority of which is landfilled or incinerated. The discarded feathers have caused environmental pollution and natural protein resource waste. Therefore, the valorisation of waste chicken feathers is measured as a more environmentally friendly and cost-effective treatment. Feather contains 91% protein, the main component being beta-keratin, a fibrous and insoluble structural protein extensively cross linked by disulfide bonds. Keratin is usually converted it into nanofibers via electrospinning for a variety of applications. keratin nanofiber composites have many potential biomedical applications for their attractive features, such as high surface-to-volume ratio and very high porosity. The application of nanofibers in the biomedical wound dressing requires antimicrobial properties for materials. One approach is incorporating inorganic nanoparticles, among which silver nanoparticles played an important alternative antibacterial agent and have been studied against many types of microbes. The objective of this study is to combine synthetic polymer, chicken feather keratin, and antibacterial nanoparticles to develop novel electrospun antibacterial nanofibrous composites for possible wound dressing application. Furthermore, this study will converting a two-dimensional electrospun nanofiber membrane to three-dimensional fiber networks that resemble the structure of the extracellular matrix (ECM)

Keywords: chicken feather keratin, nanofibers, nanoparticles, nanocomposites, wound dressing

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2071 Rayleigh-Bénard-Taylor Convection of Newtonian Nanoliquid

Authors: P. G. Siddheshwar, T. N. Sakshath

Abstract:

In the paper we make linear and non-linear stability analyses of Rayleigh-Bénard convection of a Newtonian nanoliquid in a rotating medium (called as Rayleigh-Bénard-Taylor convection). Rigid-rigid isothermal boundaries are considered for investigation. Khanafer-Vafai-Lightstone single phase model is used for studying instabilities in nanoliquids. Various thermophysical properties of nanoliquid are obtained using phenomenological laws and mixture theory. The eigen boundary value problem is solved for the Rayleigh number using an analytical method by considering trigonometric eigen functions. We observe that the critical nanoliquid Rayleigh number is less than that of the base liquid. Thus the onset of convection is advanced due to the addition of nanoparticles. So, increase in volume fraction leads to advanced onset and thereby increase in heat transport. The amplitudes of convective modes required for estimating the heat transport are determined analytically. The tri-modal standard Lorenz model is derived for the steady state assuming small scale convective motions. The effect of rotation on the onset of convection and on heat transport is investigated and depicted graphically. It is observed that the onset of convection is delayed due to rotation and hence leads to decrease in heat transport. Hence, rotation has a stabilizing effect on the system. This is due to the fact that the energy of the system is used to create the component V. We observe that the amount of heat transport is less in the case of rigid-rigid isothermal boundaries compared to free-free isothermal boundaries.

Keywords: nanoliquid, rigid-rigid, rotation, single phase

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2070 Dispersion Effects in Waves Reflected by Lossy Conductors: The Optics vs. Electromagnetics Approach

Authors: Oibar Martinez, Clara Oliver, Jose Miguel Miranda

Abstract:

The study of dispersion phenomena in electromagnetic waves reflected by conductors at infrared and lower frequencies is a topic which finds a number of applications. We aim to explain in this work what are the most relevant ones and how this phenomenon is modeled from both optics and electromagnetics points of view. We also explain here how the amplitude of an electromagnetic wave reflected by a lossy conductor could depend on both the frequency of the incident wave, as well as on the electrical properties of the conductor, and we illustrate this phenomenon with a practical example. The mathematical analysis made by a specialist in electromagnetics or a microwave engineer is apparently very different from the one made by a specialist in optics. We show here how both approaches lead to the same physical result and what are the key concepts which enable one to understand that despite the differences in the equations the solution to the problem happens to be the same. Our study starts with an analysis made by using the complex refractive index and the reflectance parameter. We show how this reflectance has a dependence with the square root of the frequency when the reflecting material is a good conductor, and the frequency of the wave is low enough. Then we analyze the same problem with a less known approach, which is based on the reflection coefficient of the electric field, a parameter that is most commonly used in electromagnetics and microwave engineering. In summary, this paper presents a mathematical study illustrated with a worked example which unifies the modeling of dispersion effects made by specialists in optics and the one made by specialists in electromagnetics. The main finding of this work is that it is possible to reproduce the dependence of the Fresnel reflectance with frequency from the intrinsic impedance of the reflecting media.

Keywords: dispersion, electromagnetic waves, microwaves, optics

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2069 Assessment of Landfill Pollution Load on Hydroecosystem by Use of Heavy Metal Bioaccumulation Data in Fish

Authors: Gintarė Sauliutė, Gintaras Svecevičius

Abstract:

Landfill leachates contain a number of persistent pollutants, including heavy metals. They have the ability to spread in ecosystems and accumulate in fish which most of them are classified as top-consumers of trophic chains. Fish are freely swimming organisms; but perhaps, due to their species-specific ecological and behavioral properties, they often prefer the most suitable biotopes and therefore, did not avoid harmful substances or environments. That is why it is necessary to evaluate the persistent pollutant dispersion in hydroecosystem using fish tissue metal concentration. In hydroecosystems of hybrid type (e.g. river-pond-river) the distance from the pollution source could be a perfect indicator of such a kind of metal distribution. The studies were carried out in the Kairiai landfill neighboring hybrid-type ecosystem which is located 5 km east of the Šiauliai City. Fish tissue (gills, liver, and muscle) metal concentration measurements were performed on two types of ecologically-different fishes according to their feeding characteristics: benthophagous (Gibel carp, roach) and predatory (Northern pike, perch). A number of mathematical models (linear, non-linear, using log and other transformations) have been applied in order to identify the most satisfactorily description of the interdependence between fish tissue metal concentration and the distance from the pollution source. However, the only one log-multiple regression model revealed the pattern that the distance from the pollution source is closely and positively correlated with metal concentration in all predatory fish tissues studied (gills, liver, and muscle).

Keywords: bioaccumulation in fish, heavy metals, hydroecosystem, landfill leachate, mathematical model

Procedia PDF Downloads 286
2068 From Liquid to Solid: Advanced Characterization of Glass Applying Oscillatory Rheometry

Authors: Christopher Giehl, Anja Allabar, Daniela Ehgartner

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Rotational rheometry is standard practice for the viscosity measurement of molten glass, neglecting the viscoelastic properties of this material, especially at temperatures approaching the glass transition. Oscillatory rheometry serves as a powerful toolbox for glass melt characterization beyond viscosity measurements. Heating and cooling rates and the time-dependent visco-elastic behavior influence the temperature where materials undergo the glass transition. This study presents quantitative thermo-mechanical visco-elasticity measurements on three samples in the Na-K-Al-Si-O system. The measurements were performed with a Furnace Rheometer System combined with an air-bearing DSR 502 measuring head (Anton Paar) and a Pt90Rh10 measuring geometry. Temperature ramps were conducted in rotation and oscillation, and the (complex) viscosity values were compared to calculated viscosity values based on sample composition. Furthermore, temperature ramps with different frequencies were conducted, also revealing the frequency-dependence of the shear loss modulus G’’ and the shear storage modulus G’. Here, lower oscillatory frequency results in lower glass transition temperature, as defined by the G’-G’’ crossover point. This contribution demonstrates that oscillatory rheometry serves as a powerful toolbox beyond viscosity measurements, as it considers the visco-elasticity of glass melts quantifying viscous and elastic moduli. Further, it offers a strong definition of Tg beyond the 10^12 Pas concept, which cannot be utilized with rotational viscometry data.

Keywords: frequency dependent glass transition, Na-K-Al-Si-O glass melts, oscillatory rheometry, visco-elasticity

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2067 The Metabolite Profiling of Fulvestrant-3 Boronic Acid under Biological Oxidation

Authors: Changde Zhang, Qiang Zhang, Shilong Zheng, Jiawang Liu, Shanchun Guo, Qiu Zhong, Guangdi Wang

Abstract:

Fulvestrant was approved by FDA to treat breast cancer as a selective estrogen receptor downregulator (SERD) with intramuscular injection administration. ZB716, a fulvestarnt-3 boronic acid, is an SERD with comparable anticancer effect to fulvestrant, but could produce good pharmacokinetic properties under oral administration with mice or rat models. To understand why ZB716 produced much better oral bioavailability, it was proposed that the boronic acid blocked the phase II direct biotransformation with the hydroxyl group on the 3 position of the aromatic ring on fulvestrant. In this study, ZB716 or fulvestrant was incubated with human liver microsome and oxidation cofactor NADPH in vitro. Their metabolites after oxidation were profiled with the Q-Exactive, a high-resolution mass spectrometer. The result showed that ZB716 blocked the forming of hydroxyl groups on its benzene ring except for the oxidation of C-B bond forming fulvestrant in its metabolites, and the concentration of fulvestrant with one more hydroxyl group found in the metabolites from incubation with fulvestrant was about 34 fold high as that formed from incubation with ZB716. Compared to fulvestrant, ZB716 is expected to be much difficult to be further bio-transformed into more hydrophilic compounds, to be difficult excreted out of blood system, and to have longer residence time in blood, which can lead to higher oral bioavailability. This study provided evidence to explain the high bioavailability of ZB716 after oral administration from the perspective of its difficulty of oxidation, a phase I biotransformation, on positions on its aromatic ring.

Keywords: biotransformation, fulvestrant, metabolite profiling, ZB716

Procedia PDF Downloads 259
2066 The Automatic Transliteration Model of Images of the Book Hamong Tani Using Statistical Approach

Authors: Agustinus Rudatyo Himamunanto, Anastasia Rita Widiarti

Abstract:

Transliteration using Javanese manuscripts is one of methods to preserve and legate the wealth of literature in the past for the present generation in Indonesia. The transliteration manual process commonly requires philologists and takes a relatively long time. The automatic transliteration process is expected to shorten the time so as to help the works of philologists. The preprocessing and segmentation stage firstly done is used to manage the document images, thus obtaining image script units that will compile input document images free from noise and have the similarity in properties in the thickness, size, and slope. The next stage of characteristic extraction is used to find unique characteristics that will distinguish each Javanese script image. One of characteristics that is used in this research is the number of black pixels in each image units. Each image of Java scripts contained in the data training will undergo the same process similar to the input characters. The system testing was performed with the data of the book Hamong Tani. The book Hamong Tani was selected due to its content, age and number of pages. Those were considered sufficient as a model experimental input. Based on the results of random page automatic transliteration process testing, it was determined that the maximum percentage correctness obtained was 81.53%. The percentage of success was obtained in 32x32 pixel input image size with the 5x5 image window. With regard to the results, it can be concluded that the automatic transliteration model offered is relatively good.

Keywords: Javanese script, character recognition, statistical, automatic transliteration

Procedia PDF Downloads 339
2065 Impact of Curvatures in the Dike Line on Wave Run-up and Wave Overtopping, ConDike-Project

Authors: Malte Schilling, Mahmoud M. Rabah, Sven Liebisch

Abstract:

Wave run-up and overtopping are the relevant parameters for the dimensioning of the crest height of dikes. Various experimental as well as numerical studies have investigated these parameters under different boundary conditions (e.g. wave conditions, structure type). Particularly for the dike design in Europe, a common approach is formulated where wave and structure properties are parameterized. However, this approach assumes equal run-up heights and overtopping discharges along the longitudinal axis. However, convex dikes have a heterogeneous crest by definition. Hence, local differences in a convex dike line are expected to cause wave-structure interactions different to a straight dike. This study aims to assess both run-up and overtopping at convexly curved dikes. To cast light on the relevance of curved dikes for the design approach mentioned above, physical model tests were conducted in a 3D wave basin of the Ludwig-Franzius-Institute Hannover. A dike of a slope of 1:6 (height over length) was tested under both regular waves and TMA wave spectra. Significant wave heights ranged from 7 to 10 cm and peak periods from 1.06 to 1.79 s. Both run-up and overtopping was assessed behind the curved and straight sections of the dike. Both measurements were compared to a dike with a straight line. It was observed that convex curvatures in the longitudinal dike line cause a redirection of incident waves leading to a concentration around the center point. Measurements prove that both run-up heights and overtopping rates are higher than on the straight dike. It can be concluded that deviations from a straight longitudinal dike line have an impact on design parameters and imply uncertainties within the design approach in force. Therefore, it is recommended to consider these influencing factors for such cases.

Keywords: convex dike, longitudinal curvature, overtopping, run-up

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2064 Interlayer Interaction Arising from Lone Pairs in s-Orbitals in 2D Materials

Authors: Yuan Yan

Abstract:

Interlayer interactions or hybridization in van der Waals (vdW) heterostructures of two-dimensional (2D) materials significantly influence their physical characteristics, including layer-dependent electronic and vibrational structures, magic-angle superconductivity, interlayer antiferromagnetism, and interlayer excitons. These interactions are sensitive to a set of interdependent and externally tunable parameters. To fully exploit the potential of these materials, it is crucial to understand the physical origins of interlayer interaction and hybridization. Traditional theories often attribute these interactions to the sharing of electrons via p orbital lone pairs or π electrons, based on the octet rule, which posits that p electrons are the primary occupants of the outermost atomic shells, except in hydrogen. However, our study challenges this prevailing belief. Through geometry-based analysis, we conducted a high-throughput screening of the Materials Project database and identified 1,623 layered materials. By examining the atomic structure and bonding characteristics of surface atoms, we demonstrate that s-orbital lone pairs can also drive interlayer interactions in two-dimensional materials. Using density functional theory, we further analyzed charge distribution and electronic localization. The crystal field and inert pair effect induce a Stark-like phenomenon, leading to energy level splitting and the formation of directional electron clouds. This allows these electrons to directly participate in the hybridization of interlayer wavefunctions without forming chemical bonds. it findings expand the understanding of interlayer interactions, revealing new mechanisms that govern these properties and providing a theoretical foundation for manipulating interlayer phenomena in 2D materials.

Keywords: interlayer interaction, nanomaterials, 2D materials, van der waals, heterostructures

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2063 The Effect of Fibre Orientation on the Mechanical Behaviour of Skeletal Muscle: A Finite Element Study

Authors: Christobel Gondwe, Yongtao Lu, Claudia Mazzà, Xinshan Li

Abstract:

Skeletal muscle plays an important role in the human body system and function by generating voluntary forces and facilitating body motion. However, The mechanical properties and behaviour of skeletal muscle are still not comprehensively known yet. As such, various robust engineering techniques have been applied to better elucidate the mechanical behaviour of skeletal muscle. It is considered that muscle mechanics are highly governed by the architecture of the fibre orientations. Therefore, the aim of this study was to investigate the effect of different fibre orientations on the mechanical behaviour of skeletal muscle.In this study, a continuum mechanics approach–finite element (FE) analysis was applied to the left bicep femoris long head to determine the contractile mechanism of the muscle using Hill’s three-element model. The geometry of the muscle was segmented from the magnetic resonance images. The muscle was modelled as a quasi-incompressible hyperelastic (Mooney-Rivlin) material. Two types of fibre orientations were implemented: one with the idealised fibre arrangement, i.e. parallel single-direction fibres going from the muscle origin to insertion sites, and the other with curved fibre arrangement which is aligned with the muscle shape.The second fibre arrangement was implemented through the finite element method; non-uniform rational B-spline (FEM-NURBs) technique by means of user material (UMAT) subroutines. The stress-strain behaviour of the muscle was investigated under idealised exercise conditions, and will be further analysed under physiological conditions. The results of the two different FE models have been outputted and qualitatively compared.

Keywords: FEM-NURBS, finite element analysis, Mooney-Rivlin hyperelastic, muscle architecture

Procedia PDF Downloads 479
2062 Novel Fluorescent High Density Polyethylene Composites for Fused Deposition Modeling 3D Printing in Packaging Security Features

Authors: Youssef R. Hassan, Mohamed S. Hasanin, Reda M. Abdelhameed

Abstract:

Recently, innovations in packaging security features become more important to see the originality of packaging in industrial application. Luminescent 3d printing materials have been a promising property which can provides a unique opportunity for the design and application of 3D printing. Lack emission of terbium ions, as a source of green emission, in salt form prevent its uses in industrial applications, so searching about stable and highly emitter material become essential. Nowadays, metal organic frameworks (MOFs) play an important role in designing light emitter material. In this work, fluorescent high density polyethylene (FHDPE) composite filament with Tb-benzene 1,3,5-tricarboxylate (Tb-BTC) MOFs for 3D printing have been successfully developed.HDPE pellets were mixed with Tb-BTC and melting extrustion with single screw extruders. It was found that Tb-BTCuniformly dispersed in the HDPE matrix and significantly increased the crystallinity of PE, which not only maintained the good thermal property but also improved the mechanical properties of Tb-BTC@HDPE composites. Notably, the composite filaments emitted ultra-bright green light under UV lamp, and the fluorescence intensity increased as the content of Tb-BTC increased. Finally, several brightly luminescent exquisite articles could be manufactured by fused deposition modeling (FDM) 3D printer with these new fluorescent filaments. In this context, the development of novel fluorescent Tb-BTC@HDPE composites was combined with 3D printing technology to amplified the packaging Security Features.

Keywords: 3D printing, fluorescent, packaging, security

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2061 Antihyperglycemic Potential of Chrysin and Diosmin alone or in Combination against Streptozotocin-Induced Hyperglycemia in Rats: Anti-Inflammatory and Antioxidant Mechanisms

Authors: Sally A. El Awdan, Gehad A. Abdel Jaleel, Dalia O Saleh, Manal Badawi

Abstract:

Background: Diabetes is a metabolic disease that affects a wide range of people worldwide and results in serious complications. Streptozotocin (STZ) causes selective cytotoxicity in the pancreatic β-cell, and it has been extensively used to induce diabetes mellitus in rats. The present study investigated the effects of diosmin and chrysin alone or in combination with each other on glucose level and on liver in STZ diabetic rats. Methods: In this study, rats were divided into six experimental groups (normal, untreated STZ-diabetic (60 mg/kg B.W., IP), treated STZ-diabetic with glycazide (10 mg/kg B.W, oral), treated STZ-diabetic with diosmin (100 mg/kg B. W., oral), treated STZ-diabetic with chrysin (80 mg/kg B.W., oral), treated STZ-diabetic with diosmin (50 mg/kg B.W, oral) + chrysin (40 mg/kg B.W., oral). After 2 weeks blood samples were withdrawn and glucose was measured. Animals were anaesthetized with an intraperitoneal injection of sodium pentobarbital (60 mg/kg), and sacrificed for dissecting liver. Results: Throughout the experimental period, all treatments significantly (P<0.05) lowered serum glucose, AST, ALT, triglyceride, cholesterol, IL-6, TNF-α and IL-1β. Moreover, the treated diabetic rats showed higher levels of reduced glutathione (P<0.05) in the liver compared to the diabetic control rats and inhibited diabetes-induced elevation in the levels of malondialdehyde in liver. The results of this study clearly demonstrated that diosmin and chrysin possess several treatment-oriented properties, including the control of hyperglycemia, antioxidant effects and anti-inflammatory effects. Conclusion: Considering these observations, it appears that diosmin and chrysin may be a useful supplement to delay the developmentof diabetes and its complications.

Keywords: diabetes, streptozocin, chrysin, rat, diosmin, cytokines

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2060 Conservativeness of Functional Proteins in Bovine Milk by Pulsed Electric Field Technology

Authors: Sulhee Lee, Geon Kim, Young-Seo Park

Abstract:

Unlike the traditional milk sterilization methods (LTLT, HTST, or UHT), pulsed electric field (PEF) technology is a non-thermal pasteurization process. This technology minimizes energy required for heat treatment in food processing, changes in sensory properties, and physical losses. In this study, structural changes of bovine milk proteins, the amount of immunoproteins such as IgG, and their storability by PEF treatment were examined. When the changes of protein content in PEF-treated milk were examined using HPLC, the amounts of α-casein and β-lactoglobulin were reduced over 40% each, whereas those of κ-casein and β-casein did not change. The amount of α-casein in HTST milk was reduced to 50%. When PEF was applied to milk at the energy level of 250 kJ, the amounts of IgG, IgA, β-lactoglobulin (β-LG), lactoferrin, and α-lactalbumin (α-LA) decreased by 43, 41, 35, 63, and 45%, respectively. When milk was sterilized by LTLT process followed by PEF process at the level of 150 kJ, the concentrations of IgG, IgA, β-LG, lactoferrin, and α-LA were 56.6, 10.6, 554, 2.8 and 660.1 μg/mL, respectively. When the bovine milk was sterilized by LTLT process followed by PEF process at the energy level of 180 kJ, storability of immunoproteins of milk was the highest and the concentrations of IgG, IgA, and β-LG decreased by 79.5, 6.5, and 134.5 μg/mL, respectively, when compared with the initial concentrations of those proteins. When bovine milk was stored at 4℃ after sterilization through HTST sterilizer followed by PEF process at the energy level of 200 kJ, the amount of lactoferrin decreased 7.3% after 36 days of storage, whereas that of lactoferrin of raw milk decreased 16.4%. Our results showed that PEF treatment did not change the protein structure nor induce protein denaturation in milk significantly when compared with LTLT or HTST sterilization. Also, LTLT or HTST process in combination with PEF were more effective than LTLT only or HTST only process in the conservation of immunoproteins in bovine milk.

Keywords: pulsed electric field, bovine milk, immunoproteins, sterilization

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2059 Al-Ti-W Metallic Glass Thin Films Deposited by Magnetron Sputtering Technology to Protect Steel Against Hydrogen Embrittlement

Authors: Issam Lakdhar, Akram Alhussein, Juan Creus

Abstract:

With the huge increase in world energy consumption, researchers are working to find other alternative sources of energy instead of fossil fuel one causing many environmental problems as the production of greenhouse effect gases. Hydrogen is considered a green energy source, which its combustion does not cause environmental pollution. The transport and the storage of the gas molecules or the other products containing this smallest chemical element in metallic structures (pipelines, tanks) are crucial issues. The dissolve and the permeation of hydrogen into the metal lattice lead to the formation of hydride phases and the embrittlement of structures. To protect the metallic structures, a surface treatment could be a good solution. Among the different techniques, magnetron sputtering is used to elaborate micrometric coatings capable of slowing down or stop hydrogen permeation. In the plasma environment, the deposition parameters of new thin-film metallic glasses Al-Ti-W were optimized and controlled in order to obtain, hydrogen barrier. Many characterizations were carried out (SEM, XRD and Nano-indentation…) to control the composition and understand the influence of film microstructure and chemical composition on the hydrogen permeation through the coatings. The coating performance was evaluated under two hydrogen production methods: chemical and electrochemical (cathodic protection) techniques. The hydrogen quantity absorbed was experimentally determined using the Thermal-Desorption Spectroscopy method (TDS)). An ideal ATW thin film was developed and showed excellent behavior against the diffusion of hydrogen.

Keywords: thin films, hydrogen, PVD, plasma technology, electrochemical properties

Procedia PDF Downloads 184
2058 Potential of Pyrolytic Tire Char Use in Agriculture

Authors: M. L. Moyo

Abstract:

Concerns about climate change, food productivity, and the ever-increasing cost of commercial fertilizer products is forcing have spurred interest in the production of alternatives or substitutes for commercial fertilizer products. In this study, the potential of pyrolytic tire char (PT-char) to improve soil productivity was investigated. The use of carbonized biomass, which is commonly termed biochar or biofertilizer and exhibits similar properties to PT-char in agriculture is not new, with historical evidence pointing to the use of charcoal for soil improvement by indigenous Amazon people for several centuries. Due to minimal market value or use of PT-char, huge quantities are currently stockpiled in South Africa. This successively reduces revenue and decreases investments in waste tire recycling efforts as PT-char constitutes 40 % weight of the total waste tire pyrolysis products. The physicochemical analysis results reported in this study showed that PT-char contains a low concentration of essential plant elements (P and K) and, therefore, cannot be used for increasing nutrient availability in soils. A low presence of heavy metals (Ni, Pb, and Cd), which may be harmful to the environment at high application rates was also observed. In addition, the results revealed that PT-char contains very high levels of Zn, a widely known phytotoxicity causing agents in plants. However, the study also illustrated that PT-char is made up of a highly aromatic and condensed carbon structure. PT-char is therefore highly stable, less prone to microbial degradation, and has a low chemical reactivity in soils. Considering these characteristics, PT-char meets the requirements for use as a carbon sequestration agent, which may be useful in mitigating climate change.

Keywords: agriculture, carbon sequestration, physicochemical analysis, pyrolytic tire char, soil amendment.

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2057 Normal Coordinate Analysis, Molecular Structure, Vibrational, Electronic Spectra, and NMR Investigation of 4-Amino-3-Phenyl-1H-1,2,4-Triazole-5(4H)-Thione by Ab Initio HF and DFT Method

Authors: Khaled Bahgat

Abstract:

In the present work, the characterization of 4-Amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione (APTT) molecule was carried out by quantum chemical method and vibrational spectral techniques. The FT-IR (4000–400 cm_1) and FT-Raman (4000–100 cm_1) spectra of APTT were recorded in solid phase. The UV–Vis absorption spectrum of the APTT was recorded in the range of 200–400 nm. The molecular geometry, harmonic vibrational frequencies and bonding features of APTT in the ground state have been calculated by HF and DFT methods using 6-311++G(d,p) basis set. The complete vibrational frequency assignments were made by normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology (SQMF). The molecular stability and bond strength were investigated by applying the natural bond orbital analysis (NBO) and natural localized molecular orbital (NLMO) analysis. The electronic properties, such as excitation energies, absorption wavelength, HOMO and LUMO energies were performed by time depended DFT (TD-DFT) approach. The 1H and 13C nuclear magnetic resonance chemical shift of the molecule were calculated using the gauge-including atomic orbital (GIAO) method and compared with experimental results. Finally, the calculation results were analyzed to simulate infrared, FT-Raman and UV spectra of the title compound which shows better agreement with observed spectra.

Keywords: 4-amino-3-phenyl-1H-1, 2, 4-triazole-5(4H)-thione, vibrational assignments, normal coordinate analysis, quantum mechanical calculations

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2056 Effect of Solvents in the Extraction and Stability of Anthocyanin from the Petals of Caesalpinia pulcherrima for Natural Dye-Sensitized Solar Cell

Authors: N. Prabavathy, R. Balasundaraprabhu, S. Shalini, Dhayalan Velauthapillai, S. Prasanna, N. Muthukumarasamy

Abstract:

Dye sensitized solar cell (DSSC) has become a significant research area due to their fundamental and scientific importance in the area of energy conversion. Synthetic dyes as sensitizer in DSSC are efficient and durable but they are costlier, toxic and have the tendency to degrade. Natural sensitizers contain plant pigments such as anthocyanin, carotenoid, flavonoid, and chlorophyll which promote light absorption as well as injection of charges to the conduction band of TiO2 through the sensitizer. But, the efficiency of natural dyes is not up to the mark mainly due to instability of the pigment such as anthocyanin. The stability issues in vitro are mainly due to the effect of solvents on extraction of anthocyanins and their respective pH. Taking this factor into consideration, in the present work, the anthocyanins were extracted from the flower Caesalpinia pulcherrima (C. pulcherrimma) with various solvents and their respective stability and pH values are discussed. The usage of citric acid as solvent to extract anthocyanin has shown good stability than other solvents. It also helps in enhancing the sensitization properties of anthocyanins with Titanium dioxide (TiO2) nanorods. The IPCE spectra show higher photovoltaic performance for dye sensitized TiO2nanorods using citric acid as solvent. The natural DSSC using citric acid as solvent shows a higher efficiency compared to other solvents. Hence citric acid performs to be a safe solvent for natural DSSC in boosting the photovoltaic performance and maintaining the stability of anthocyanins.

Keywords: Caesalpinia pulcherrima, citric acid, dye sensitized solar cells, TiO₂ nanorods

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2055 Analysis of Computer Science Papers Conducted by Board of Intermediate and Secondary Education at Secondary Level

Authors: Ameema Mahroof, Muhammad Saeed

Abstract:

The purpose of this study was to analyze the papers of computer science conducted by Board of Intermediate and Secondary Education with reference to Bloom’s taxonomy. The present study has two parts. First, the analysis is done on the papers conducted by Board of Intermediate of Secondary Education on the basis of basic rules of item construction especially Bloom’s (1956). And the item analysis is done to improve the psychometric properties of a test. The sample included the question papers of computer science of higher secondary classes (XI-XII) for the years 2011 and 2012. For item analysis, the data was collected from 60 students through convenient sampling. Findings of the study revealed that in the papers by Board of intermediate and secondary education the maximum focus was on knowledge and understanding level and very less focus was on the application, analysis, and synthesis. Furthermore, the item analysis on the question paper reveals that item difficulty of most of the questions did not show a balanced paper, the items were either very difficult while most of the items were too easy (measuring knowledge and understanding abilities). Likewise, most of the items were not truly discriminating the high and low achievers; four items were even negatively discriminating. The researchers also analyzed the items of the paper through software Conquest. These results show that the papers conducted by Board of Intermediate and Secondary Education were not well constructed. It was recommended that paper setters should be trained in developing the question papers that can measure various cognitive abilities of students so that a good paper in computer science should assess all cognitive abilities of students.

Keywords: Bloom’s taxonomy, question paper, item analysis, cognitive domain, computer science

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2054 Model-Based Fault Diagnosis in Carbon Fiber Reinforced Composites Using Particle Filtering

Authors: Hong Yu, Ion Matei

Abstract:

Carbon fiber reinforced composites (CFRP) used as aircraft structure are subject to lightning strike, putting structural integrity under risk. Indirect damage may occur after a lightning strike where the internal structure can be damaged due to excessive heat induced by lightning current, while the surface of the structures remains intact. Three damage modes may be observed after a lightning strike: fiber breakage, inter-ply delamination and intra-ply cracks. The assessment of internal damage states in composite is challenging due to complicated microstructure, inherent uncertainties, and existence of multiple damage modes. In this work, a model based approach is adopted to diagnose faults in carbon composites after lighting strikes. A resistor network model is implemented to relate the overall electrical and thermal conduction behavior under simulated lightning current waveform to the intrinsic temperature dependent material properties, microstructure and degradation of materials. A fault detection and identification (FDI) module utilizes the physics based model and a particle filtering algorithm to identify damage mode as well as calculate the probability of structural failure. Extensive simulation results are provided to substantiate the proposed fault diagnosis methodology with both single fault and multiple faults cases. The approach is also demonstrated on transient resistance data collected from a IM7/Epoxy laminate under simulated lightning strike.

Keywords: carbon composite, fault detection, fault identification, particle filter

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2053 Physical-Mechanical Characteristics of Monocrystalline Si1-xGex(X 0,02) Solid Solutions

Authors: I. Kurashvili, A. Sichinava, G. Bokuchava, G. Darsavelidze

Abstract:

Si-Ge solid solutions (bulk poly- and monocrystalline samples, thin films) are characterized by high perspectives for application in semiconductor devices, in particular, optoelectronics and microelectronics. In this light complex studying of structural state of the defects and structural-sensitive physical properties of Si-Ge solid solutions depending on the contents of Si and Ge components is very important. Present work deals with the investigations of microstructure, electrophysical characteristics, microhardness, internal friction and shear modulus of Si1-xGex(x≤0,02) bulk monocrystals conducted at a room temperatures. Si-Ge bulk crystals were obtained by Czochralski method in [111] crystallographic direction. Investigated monocrystalline Si-Ge samples are characterized by p-type conductivity and carriers concentration 5.1014-1.1015cm-3, dislocation density 5.103-1.104cm-2, microhardness according to Vickers method 900-1200 Kg/mm2. Investigate samples are characterized with 0,5x0,5x(10-15) mm3 sizes, oriented along [111] direction at torsion oscillations ≈1Hz, multistage changing of internal friction and shear modulus has been revealed in an interval of strain amplitude of 10-5-5.10-3. Critical values of strain amplitude have been determined at which hysteretic changes of inelastic characteristics and microplasticity are observed. The critical strain amplitude and elasticity limit values are also determined. Tendency to decrease of dynamic mechanical characteristics is shown with increasing Ge content in Si-Ge solid solutions. Observed changes are discussed from the point of view of interaction of various dislocations with point defects and their complexes in a real structure of Si-Ge solid solutions.

Keywords: Microhardness, internal friction, shear modulus, Monocrystalline

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2052 Investigating the Viability of Small-Scale Rapid Alloy Prototyping of Interstitial Free Steels

Authors: Talal S. Abdullah, Shahin Mehraban, Geraint Lodwig, Nicholas P. Lavery

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The defining property of Interstitial Free (IF) steels is formability, comprehensively measured using the Lankford coefficient (r-value) on uniaxial tensile test data. The contributing factors supporting this feature are grain size, orientation, and elemental additions. The processes that effectively modulate these factors are the casting procedure, hot rolling, and heat treatment. An existing methodology is well-practised in the steel Industry; however, large-scale production and experimentation consume significant proportions of time, money, and material. Introducing small-scale rapid alloy prototyping (RAP) as an alternative process would considerably reduce the drawbacks relative to standard practices. The aim is to finetune the existing fundamental procedures implemented in the industrial plant to adapt to the RAP route. IF material is remelted in the 80-gram coil induction melting (CIM) glovebox. To birth small grains, maximum deformation must be induced onto the cast material during the hot rolling process. The rolled strip must then satisfy the polycrystalline behaviour of the bulk material by displaying a resemblance in microstructure, hardness, and formability to that of the literature and actual plant steel. A successful outcome of this work is that small-scale RAP can achieve target compositions with similar microstructures and statistically consistent mechanical properties which complements and accelerates the development of novel steel grades.

Keywords: rapid alloy prototyping, plastic anisotropy, interstitial free, miniaturised tensile testing, formability

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2051 The Effect of Salinity on Symbiotic Nitrogen Fixation in Alfalfa and Faba Bean

Authors: Mouffok Ahlem, Belhamra Mohamed, Mouffok Sihem

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The use of nitrogen fertilizers inevitable consequence, the increase in the nitrate content of water, which may contribute to the production of nitrite and the formation of carcinogenic nitrosamines. The nitrogen fertilizer may also affect the structure and function of the microbial community. And the fight against eutrophication of aquatic environments represents a cost to the student statements. The agronomic, ecological and economic legumes such as faba beans and alfalfa are not demonstrated, especially in the case of semi-arid and arid areas. Osmotic stress due to drought and / or salinity deficit, nutritional deficiencies is the major factors limiting symbiotic nitrogen fixation and productivity of pulses. To study the symbiotic nitrogen fixation in faba bean (Vicia faba L.) and alfalfa (Medicago sativa L.) in the region of Biskra, we used soil samples collected from 30 locations. This work has identified several issues of ecological and agronomic interest. Evaluation of symbiotic potential of soils in the region of Biskra; by trapping technique, show different levels of susceptibility to rhizobial microflora. The effectiveness of the rhizobial symbiosis in both legumes indicates that air dry biomass and the amount of nitrogen accumulated in the aerial part, depends mainly on the rate of nodulation and regardless of the species and locality. The correlation between symbiotic nitrogen fixation and some physico-chemical properties of soils shows that symbiotic nitrogen fixation in both legumes is strongly related to soil conditions of the soil. Salinity disrupts the physiological process of growth, development and more particularly that of the symbiotic fixation of atmospheric nitrogen. Against by phosphorus promotes rhizobial symbiosis.

Keywords: rhizobia, faba bean, alfalfa, salinity

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2050 Upconversion Nanomaterials for Applications in Life Sciences and Medicine

Authors: Yong Zhang

Abstract:

Light has proven to be useful in a wide range of biomedical applications such as fluorescence imaging, photoacoustic imaging, optogenetics, photodynamic therapy, photothermal therapy, and light controlled drug/gene delivery. Taking photodynamic therapy (PDT) as an example, PDT has been proven clinically effective in early lung cancer, bladder cancer, head, and neck cancer and is the primary treatment for skin cancer as well. However, clinical use of PDT is severely constrained by the low penetration depth of visible light through thick tissue, limiting its use to target regions only a few millimeters deep. One way to enhance the range is to use invisible near-infrared (NIR) light within the optical window (700–1100nm) for biological tissues, extending the depth up to 1cm with no observable damage to the intervening tissue. We have demonstrated use of NIR-to-visible upconversion fluorescent nanoparticles (UCNPs), emitting visible fluorescence when excited by a NIR light at 980nm, as a nanotransducer for PDT to convert deep tissue-penetrating NIR light to visible light suitable for activating photosensitizers. The unique optical properties of UCNPs enable the upconversion wavelength to be tuned and matched to the activation absorption wavelength of the photosensitizer. At depths beyond 1cm, however, tissue remains inaccessible to light even within the NIR window, and this critical depth limitation renders existing phototherapy ineffective against most deep-seated cancers. We have demonstrated some new treatment modalities for deep-seated cancers based on UCNP hydrogel implants and miniaturized, wirelessly powered optoelectronic devices for light delivery to deep tissues.

Keywords: upconversion, fluorescent, nanoparticle, bioimaging, photodynamic therapy

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2049 Co-Disposal of Coal Ash with Mine Tailings in Surface Paste Disposal Practices: A Gold Mining Case Study

Authors: M. L. Dinis, M. C. Vila, A. Fiúza, A. Futuro, C. Nunes

Abstract:

The present paper describes the study of paste tailings prepared in laboratory using gold tailings, produced in a Finnish gold mine with the incorporation of coal ash. Natural leaching tests were conducted with the original materials (tailings, fly and bottom ashes) and also with paste mixtures that were prepared with different percentages of tailings and ashes. After leaching, the solid wastes were physically and chemically characterized and the results were compared to those selected as blank – the unleached samples. The tailings and the coal ash, as well as the prepared mixtures, were characterized, in addition to the textural parameters, by the following measurements: grain size distribution, chemical composition and pH. Mixtures were also tested in order to characterize their mechanical behavior by measuring the flexural strength, the compressive strength and the consistency. The original tailing samples presented an alkaline pH because during their processing they were previously submitted to pressure oxidation with destruction of the sulfides. Therefore, it was not possible to ascertain the effect of the coal ashes in the acid mine drainage. However, it was possible to verify that the paste reactivity was affected mostly by the bottom ash and that the tailings blended with bottom ash present lower mechanical strength than when blended with a combination of fly and bottom ash. Surface paste disposal offer an attractive alternative to traditional methods in addition to the environmental benefits of incorporating large-volume wastes (e.g. bottom ash). However, a comprehensive characterization of the paste mixtures is crucial to optimize paste design in order to enhance engineer and environmental properties.

Keywords: coal ash, mine tailings, paste blends, surface disposal

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2048 Bifunctional Electrospun Fibers Based on Poly(Lactic Acid)/Calcium Oxide Nanocomposites as a Potential Scaffold for Bone Tissue Engineering

Authors: Daniel Canales, Fabián Alvarez, Pablo Varela, Marcela Saavedra, Claudio García, Paula Zapata

Abstract:

Calcium oxide nanoparticles (n-CaO) ca. 8 nm were obtained from eggshell waste. The n-CaO was incorporated into Poly(lactic acid) PLA matrix in 10 and 20 wt.% of filler content by electrospinning process to obtain PLA/n-CaO nanocomposite fibers as a potential use in scaffold for bone tissue regeneration. The fibers morphology and diameter were homogeneity, the PLA had a diameter of 2.2 ± 0.8 µm and, with the nanoparticles incorporation (20wt.%), reached ca. 2.9 ± 0.9 µm. The PLA/n-CaO nanocomposites fibers showed in vitro bioactivity, capable of inducing the precipitation of hydroxyapatite (HA) layer in the fiber surface after 7 days in Simulated Body Solution (SBF). The biocidal and biological properties of PLA/n-Cao with 20 wt.% were evaluated, showing a 30% reduction in bacterial viability against S. aureus and 11% for E. coli after 6 hours of bacterial suspensions exposure. Furthermore, the fibers did not show a cytotoxic effect on the bone marrow ST-2 cell line, permitting the cell adhesion and proliferation in Roswell Park Memorial Institute medium (RPMI). The PLA/n-CaO with 20 wt.% of nanoparticles showed a higher capacity to promote the osteogenic differentiation, significantly increasing the alkaline phosphatase (ALP) expression after 7 days compared to PLA and cell control. The in vivo analysis corroborated the biocompatibility of scaffolds prepared, the presence of n-CaO in PLA reduced the formation of fibrous encapsulation of the material improve the healing process.

Keywords: electrospun scaffolds, PLA based nanocomposites, calcium oxide nanoparticles, bioactive materials, tissue engineering

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2047 Optical Analysis of the Plasmon Resonances of Gold Nano-Ring

Authors: Mehrnaz Mostafavi

Abstract:

The current research aims to explore a method for creating nano-ring structures through chemical reduction. By employing a direct reduction process at a controlled, slow pace, and concurrently introducing specific reduction agents, the goal is to fabricate these unique nano-ring formations. The deliberate slow reduction of nanoparticles within this process helps prevent spatial hindrances caused by the reduction agents. The timing of the reduction of metal atoms, facilitated by these agents, emerges as a crucial factor influencing the creation of nano-ring structures. In investigation involves a chemical approach utilizing bovine serum albumin and human serum albumin as organic reducing agents to produce gold nano-rings. The controlled reduction of metal atoms at a slow pace and under specific pH conditions plays a pivotal role in the successful fabrication of these nanostructures. Optical spectroscopic analyses revealed distinctive plasmonic behavior in both visible and infrared spectra, owing to the collective movement of electrons along the inner and outer walls of the gold nano-rings. Importantly, these ring-shaped nanoparticles exhibit customizable plasmon resonances in the near-infrared spectrum, a characteristic absent in solid particles of similar sizes. This unique attribute makes the generated samples valuable for applications in Nanomedicine and Nanobiotechnology, leveraging the distinct optical properties of these nanostructures.

Keywords: nano-ring structure, nano-particles, reductant agents, plasmon resonace

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2046 Comparative Studies on Spontaneous Imbibition of Surfactant/Alkaline Solution in Carbonate Rocks

Authors: M. Asgari, N. Heydari, N. Shojai Kaveh, S. N. Ashrafizadeh

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Chemical flooding methods are having importance in enhanced oil recovery to recover the trapped oil after conventional recovery, as conventional oil resources become scarce. The surfactant/alkaline process consists of injecting alkali and synthetic surfactant. The addition of surfactant to injected water reduces oil/water IFT and/or alters wettability. The alkali generates soap in situ by reaction between the alkali and naphthenic acids in the crude oil. Oil recovery in fractured reservoirs mostly depends on spontaneous imbibition (SI) of brine into matrix blocks. Thus far, few efforts have been made toward understanding the relative influence of capillary and gravity forces on the fluid flow. This paper studies the controlling mechanisms of spontaneous imbibition process in chalk formations by consideration of type and concentration of surfactants, CMC, pH and alkaline reagent concentration. Wetting properties of carbonate rock have been investigated by means of contact-angle measurements. Interfacial-tension measurements were conducted using spinning drop method. Ten imbibition experiments were conducted in atmospheric pressure and various temperatures from 30°C to 50°C. All experiments were conducted above the CMC of each surfactant. The experimental results were evaluated in terms of ultimate oil recovery and reveal that wettability alteration achieved by nonionic surfactant, which led to imbibition of brine sample containing the nonionic surfactant, while IFT value was not in range of ultra low. The displacement of oil was initially dominated by capillary forces. However, for cationic surfactant, gravity forces was the dominant force for oil production by surfactant solution to overcome the negative capillary pressure.

Keywords: alkaline, capillary, gravity, imbibition, surfactant, wettability

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2045 Mg and MgN₃ Cluster in Diamond: Quantum Mechanical Studies

Authors: T. S. Almutairi, Paul May, Neil Allan

Abstract:

The geometrical, electronic and magnetic properties of the neutral Mg center and MgN₃ cluster in diamond have been studied theoretically in detail by means of an HSE06 Hamiltonian that includes a fraction of the exact exchange term; this is important for a satisfactory picture of the electronic states of open-shell systems. Another batch of the calculations by GGA functionals have also been included for comparison, and these support the results from HSE06. The local perturbations in the lattice by introduced Mg defect are restricted in the first and second shell of atoms before eliminated. The formation energy calculated with HSE06 and GGA of single Mg agrees with the previous result. We found the triplet state with C₃ᵥ is the ground state of Mg center with energy lower than the singlet with C₂ᵥ by ~ 0.1 eV. The recent experimental ZPL (557.4 nm) of Mg center in diamond has been discussed in the view of present work. The analysis of the band-structure of the MgN₃ cluster confirms that the MgN₃ defect introduces a shallow donor level in the gap lying within the conduction band edge. This observation is supported by the EMM that produces n-type levels shallower than the P donor level. The formation energy of MgN₂ calculated from a 2NV defect (~ 3.6 eV) is a promising value from which to engineer MgN₃ defects inside the diamond. Ion-implantation followed by heating to about 1200-1600°C might induce migration of N related defects to the localized Mg center. Temperature control is needed for this process to restore the damage and ensure the mobilities of V and N, which demands a more precise experimental study.

Keywords: empirical marker method, generalised gradient approximation, Heyd–Scuseria–Ernzerhof screened hybrid functional, zero phono line

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2044 The Impact of Ozone on the Sensory Perception of Pumpkin Seeds and its Toxicity against Plodia interpunctella (Lepidoptera: Pyralidae)

Authors: Saba Goudarzi Dehrizifar, Aysan Afradi

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The utilization of ozone treatment as a potential technique for storage pest control has gained significant attention. This approach presents an alternative to traditional chemical methods. In the current study, the mortality rates of Plodia interpunctella as a primary pest found in stored products particularly nuts, were examined after being exposed to different O3 concentration (minimum, half, and maximum) in three replicates and within 24 hours. As the concentration of O3 increased, the mortality rates of P. interpunctella also experienced a dramatic growth. A 20-member panel (men and women in different ages), formed from the society community, was selected for sensory evaluation. The pumpkin seeds samples were coded and presented randomly in identical containers. The panelists were asked to evaluate their degree of liking or disliking on a seven-point hedonic scale using descriptive categories, ranging 1-7 (1: extremely dislike, 2: very dislike, 3: dislike, 4: no difference, 5: like, 6: very like, and 7: extremely like). The results obtained from experiments on the qualitative characteristics of the studied dates through the sensory test revealed that O3 concentration did not affect their color, crispness, firmness, and overall acceptance and the half concentration of ozone on pumpkin seed had the highest consumption interest. Moreover, minimal alterations were observed in the aroma of the pumpkin seeds, which could be resolved with a short period of air exposure. Therefore, it could be concluded that the atmospheric O3 gas provided a cost-effective and environmentally friendly way for controlling the insect pests in pumpkin seeds, besides preserving their sensory and quality properties.

Keywords: zone, control, pumpkin seeds, qualitative characteristics

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2043 Mineral Slag Used as an Alternative of Cement in Concrete

Authors: Eskinder Desta Shumuye, Jun Zhao, Zike Wang

Abstract:

This paper summarizes the results of experimental studies carried out at Zhengzhou University, School of Mechanics and Engineering Science, research laboratory, on the performance of concrete produced by combining Ordinary Portland Cement (OPC) with Ground-Granulated Blast Furnace Slag (GGBS). Concrete specimens cast with OPC and various percentage of GGBS (0%, 30%, 50%, and 70%) were subjected to high temperature exposure and extensive experimental test reproducing basic freeze-thaw cycle and a chloride-ion attack to determine their combined effects within the concrete samples. From the experimental studies, comparisons were made on the physical, mechanical, and microstructural properties in compassion with ordinary Portland cement concrete (OPC). Further, durability of GGBS cement concrete, such as exposure to accelerated carbonation, chloride ion attack, and freeze-thaw action in compassion with various percentage of GGBS and ordinary Portland cement concrete of similar mixture composition was analyzed. The microstructure, mineralogical composition, and pore size distribution of concrete specimens were determined via Scanning Electron Microscopy (SEM) analysis and X-Ray Diffraction (XRD). The result demonstrated that when the exposure temperature increases from 200 ºC to 400 ºC, the residual compressive strength was fluctuating for all concrete group, and compressive strength and chloride ion exposure of the concrete decreased with the increasing of slag content. The SEM and EDS results showed an increase in carbonation rate with increasing in slag content.

Keywords: accelerated carbonation, chloride-ion, concrete, ground-granulated blast furnace slag, GGBS, high-temperature

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