Search results for: stable nitritation
1221 Topological Analysis of Hydrogen Bonds in Pyruvic Acid-Water Mixtures
Authors: Ferid Hammami
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The molecular geometries of the possible conformations of pyruvic acid-water complexes (PA-(H₂O)ₙ = 1- 4) have been fully optimized at DFT/B3LYP/6-311G ++ (d, p) levels of calculation. Among several optimized molecular clusters, the most stable molecular arrangements obtained when one, two, three, and four water molecules are hydrogen-bonded to a central pyruvic acid molecule are presented in this paper. Apposite topological and geometrical parameters are considered as primary indicators of H-bond strength. Atoms in molecules (AIM) analysis shows that pyruvic acid can form a ring structure with water, and the molecular structures are stabilized by both strong O-H...O and C-H...O hydrogen bonds. In large clusters, classical O-H...O hydrogen bonds still exist between water molecules, and a cage-like structure is built around some parts of the central molecule of pyruvic acid. The electrostatic potential energy map (MEP) and the HOMO-LUMO molecular orbital (highest occupied molecular orbital-lowest unoccupied molecular orbital) analysis has been performed for all considered complexes.Keywords: pyruvic acid, PA-water complex, hydrogen bonding, DFT, AIM, MEP, HOMO-LUMO
Procedia PDF Downloads 2141220 Assessing Brain Targeting Efficiency of Ionisable Lipid Nanoparticles Encapsulating Cas9 mRNA/gGFP Following Different Routes of Administration in Mice
Authors: Meiling Yu, Nadia Rouatbi, Khuloud T. Al-Jamal
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Background: Treatment of neurological disorders with modern medical and surgical approaches remains difficult. Gene therapy, allowing the delivery of genetic materials that encodes potential therapeutic molecules, represents an attractive option. The treatment of brain diseases with gene therapy requires the gene-editing tool to be delivered efficiently to the central nervous system. In this study, we explored the efficiency of different delivery routes, namely intravenous (i.v.), intra-cranial (i.c.), and intra-nasal (i.n.), to deliver stable nucleic acid-lipid particles (SNALPs) containing gene-editing tools namely Cas9 mRNA and sgRNA encoding for GFP as a reporter protein. We hypothesise that SNALPs can reach the brain and perform gene-editing to different extents depending on the administration route. Intranasal administration (i.n.) offers an attractive and non-invasive way to access the brain circumventing the blood–brain barrier. Successful delivery of gene-editing tools to the brain offers a great opportunity for therapeutic target validation and nucleic acids therapeutics delivery to improve treatment options for a range of neurodegenerative diseases. In this study, we utilised Rosa26-Cas9 knock-in mice, expressing GFP, to study brain distribution and gene-editing efficiency of SNALPs after i.v.; i.c. and i.n. routes of administration. Methods: Single guide RNA (sgRNA) against GFP has been designed and validated by in vitro nuclease assay. SNALPs were formulated and characterised using dynamic light scattering. The encapsulation efficiency of nucleic acids (NA) was measured by RiboGreen™ assay. SNALPs were incubated in serum to assess their ability to protect NA from degradation. Rosa26-Cas9 knock-in mice were i.v., i.n., or i.c. administered with SNALPs to test in vivo gene-editing (GFP knockout) efficiency. SNALPs were given as three doses of 0.64 mg/kg sgGFP following i.v. and i.n. or a single dose of 0.25 mg/kg sgGFP following i.c.. knockout efficiency was assessed after seven days using Sanger Sequencing and Inference of CRISPR Edits (ICE) analysis. In vivo, the biodistribution of DiR labelled SNALPs (SNALPs-DiR) was assessed at 24h post-administration using IVIS Lumina Series III. Results: Serum-stable SNALPs produced were 130-140 nm in diameter with ~90% nucleic acid loading efficiency. SNALPs could reach and stay in the brain for up to 24h following i.v.; i.n. and i.c. administration. Decreasing GFP expression (around 50% after i.v. and i.c. and 20% following i.n.) was confirmed by optical imaging. Despite the small number of mice used, ICE analysis confirmed GFP knockout in mice brains. Additional studies are currently taking place to increase mice numbers. Conclusion: Results confirmed efficient gene knockout achieved by SNALPs in Rosa26-Cas9 knock-in mice expressing GFP following different routes of administrations in the following order i.v.= i.c.> i.n. Each of the administration routes has its pros and cons. The next stages of the project involve assessing gene-editing efficiency in wild-type mice and replacing GFP as a model target with therapeutic target genes implicated in Motor Neuron Disease pathology.Keywords: CRISPR, nanoparticles, brain diseases, administration routes
Procedia PDF Downloads 1021219 Cytotoxic Effect of Purified and Crude Hyaluronidase Enzyme on Hep G2 Cell Line
Authors: Furqan M. Kadhum, Asmaa A. Hussein, Maysaa Ch. Hatem
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Hyaluronidase enzyme was purified from the clinical isolate Staphyloccus aureus in three purification steps, first by precipitation with 90% saturated ammonium sulfate, ion exchange chromatography on DEAE-Cellulose, and gel filtration chromatography throughout Sephacryl S-300. Specific activity of the purified enzyme was reached 930 U/mg protein with 7.4 folds of purification and 46.5% recovery. The enzyme has an average molecular weight of about 69 kDa, with an optimum pH of enzyme activity and stability at pH 7, also the optimum temperature for activity was 37oC. The enzyme was stable with full activity at a temperature ranged between 30-40 oC. Metal ions showed variable inhibitory degree with the strongest effect for Fe+3, however, the chelating and reducing agents had no or little effects. Cytotoxic studies for purified and crude hyaluronidase against cancer cell Hep G2 type at different enzyme concentrations and exposure times showed that the inhibition effect of both crude and purified enzyme increased by increasing the enzyme concentration with no change was observed at 24hr, while at 48 and 72 hrs the same inhibition rate were observed for purified enzyme and differ for the crude filtrate.Keywords: hyaluronidase, S. aureus, metal ions, cytotoxicity
Procedia PDF Downloads 4471218 The Fabrication of Scintillator Column by Hydraulic Pressure Injection Method
Authors: Chien Chon Chen, Chun Mei Chu, Chuan Ju Wang, Chih Yuan Chen, Ker Jer Huang
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Cesiumiodide with Na doping (CsI(Na)) solution or melt is easily forming three- dimension dendrites on the free surface. The defects or bobbles form inside the CsI(Na) during the solution or melt solidification. The defects or bobbles can further effect the x-ray path in the CsI(Na) crystal and decrease the scintillation characteristics of CsI(Na). In order to enhance the CsI(Na) scintillated property we made single crystal of CsI(Na) column in the anodic aluminum oxide (AAO) template by hydraulic pressure injection method. It is interesting that when CsI(Na) melt is confined in the small AAO channels, the column grow as stable single column without any dendrites. The high aspect ratio (100~10000) of AAO and nano to sub-micron channel structure which is a suitable template for single of crystal CsI(Na) formation. In this work, a new low-cost approach to fabricate scintillator crystals using anodic aluminum oxide (AAO) rather than Si is reported, which can produce scintillator crystals with a wide range of controllable size to optimize their performance in X-ray detection.Keywords: cesiumiodide, AAO, scintillator, crystal, X-ray
Procedia PDF Downloads 4621217 Power Supply Feedback Regulation Loop Design Using Cadence PSpice Tool: Determining Converter Stability by Simulation
Authors: Debabrata Das
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This paper explains how to design a regulation loop for a power supply circuit. It also discusses the need of a regulation loop and the improvement of a circuit with regulation loop. A sample design is used to demonstrate how to use PSpice to design feedback loop to control output voltage of a power supply and how to check if the power supply is stable or oscillatory. A sample design is made using a specific Integrated Circuit (IC) available in the PSpice library. A designer can experiment feedback loop design using Cadence Pspice tool. PSpice is easy to use, reliable, and convenient. To test a feedback loop, generally, engineers use trial and error method with the hardware which takes a lot of time and manpower. Moreover, it is expensive because component and Printed Circuit Board (PCB) may go bad. PSpice can be used by designers to test their loop designs without using hardware circuits. A designer can save time, cost, manpower and simulate his/her power supply circuit accurately before making a real hardware using this software package.Keywords: power electronics, feedback loop, regulation, stability, pole, zero, oscillation
Procedia PDF Downloads 3461216 Multilingual Females and Linguistic Change: A Quantitative and Qualitative Sociolinguistic Case Study of Minority Speaker in Southeast Asia
Authors: Stefanie Siebenhütter
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Men and women use minority and majority languages differently and with varying confidence levels. This paper contrasts gendered differences in language use with socioeconomic status and age factors of minority language speakers in Southeast Asia. Language use and competence are conditioned by the variable of gender. Potential reasons for this variation by examining gendered language awareness and sociolinguistic attitudes will be given. Moreover, it is analyzed whether women in multilingual minority speakers’ society function as 'leaders of linguistic change', as represented in Labov’s sociolinguistic model. It is asked whether the societal role expectations in collectivistic cultures influence the model of linguistic change. The findings reveal speaking preferences and suggest predictions on the prospective language use, which is a stable situation of multilingualism. The study further exhibits differences between male and females identity-forming processes and shows why females are the leaders of (socio-) linguistic change.Keywords: gender, identity construction, multilingual minorities, linguistic change, social networks
Procedia PDF Downloads 1591215 Heteromolecular Structure Formation in Aqueous Solutions of Ethanol, Tetrahydrofuran and Dimethylformamide
Authors: Sh. Gofurov, O. Ismailova, U. Makhmanov, A. Kokhkharov
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The refractometric method has been used to determine optical properties of concentration features of aqueous solutions of ethanol, tetrahydrofuran and dimethylformamide at the room temperature. Changes in dielectric permittivity of aqueous solutions of ethanol, tetrahydrofuran and dimethylformamide in a wide range of concentrations (0÷1.0 molar fraction) have been studied using molecular dynamics method. The curves depending on the concentration of experimental data on excess refractive indices and excess dielectric permittivity were compared. It has been shown that stable heteromolecular complexes in binary solutions are formed in the concentration range of 0.3÷0.4 mole fractions. The real and complex part of dielectric permittivity was obtained from dipole-dipole autocorrelation functions of molecules. At the concentrations of C = 0.3 / 0.4 m.f. the heteromolecular structures with hydrogen bonds are formed. This is confirmed by the extremum values of excessive dielectric permittivity and excessive refractive index of aqueous solutions.Keywords: refractometric method, aqueous solution, molecular dynamics, dielectric constant
Procedia PDF Downloads 2621214 Estimation of Synchronous Machine Synchronizing and Damping Torque Coefficients
Authors: Khaled M. EL-Naggar
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Synchronizing and damping torque coefficients of a synchronous machine can give a quite clear picture for machine behavior during transients. These coefficients are used as a power system transient stability measurement. In this paper, a crow search optimization algorithm is presented and implemented to study the power system stability during transients. The algorithm makes use of the machine responses to perform the stability study in time domain. The problem is formulated as a dynamic estimation problem. An objective function that minimizes the error square in the estimated coefficients is designed. The method is tested using practical system with different study cases. Results are reported and a thorough discussion is presented. The study illustrates that the proposed method can estimate the stability coefficients for the critical stable cases where other methods may fail. The tests proved that the proposed tool is an accurate and reliable tool for estimating the machine coefficients for assessment of power system stability.Keywords: optimization, estimation, synchronous, machine, crow search
Procedia PDF Downloads 1401213 Rheological Properties of Thermoresponsive Poly(N-Vinylcaprolactam)-g-Collagen Hydrogel
Authors: Serap Durkut, A. Eser Elcin, Y. Murat Elcin
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Stimuli-sensitive polymeric hydrogels have received extensive attention in the biomedical field due to their sensitivity to physical and chemical stimuli (temperature, pH, ionic strength, light, etc.). This study describes the rheological properties of a novel thermoresponsive poly(N-vinylcaprolactam)-g-collagen hydrogel. In the study, we first synthesized a facile and novel synthetic carboxyl group-terminated thermo-responsive poly(N-vinylcaprolactam)-COOH (PNVCL-COOH) via free radical polymerization. Further, this compound was effectively grafted with native collagen, by utilizing the covalent bond between the carboxylic acid groups at the end of the chains and amine groups of the collagen using cross-linking agent (EDC/NHS), forming PNVCL-g-Col. Newly-formed hybrid hydrogel displayed novel properties, such as increased mechanical strength and thermoresponsive characteristics. PNVCL-g-Col showed low critical solution temperature (LCST) at 38ºC, which is very close to the body temperature. Rheological studies determine structural–mechanical properties of the materials and serve as a valuable tool for characterizing. The rheological properties of hydrogels are described in terms of two dynamic mechanical properties: the elastic modulus G′ (also known as dynamic rigidity) representing the reversible stored energy of the system, and the viscous modulus G″, representing the irreversible energy loss. In order to characterize the PNVCL-g-Col, the rheological properties were measured in terms of the function of temperature and time during phase transition. Below the LCST, favorable interactions allowed the dissolution of the polymer in water via hydrogen bonding. At temperatures above the LCST, PNVCL molecules within PNVCL-g-Col aggregated due to dehydration, causing the hydrogel structure to become dense. When the temperature reached ~36ºC, both the G′ and G″ values crossed over. This indicates that PNVCL-g-Col underwent a sol-gel transition, forming an elastic network. Following temperature plateau at 38ºC, near human body temperature the sample displayed stable elastic network characteristics. The G′ and G″ values of the PNVCL-g-Col solutions sharply increased at 6-9 minute interval, due to rapid transformation into gel-like state and formation of elastic networks. Copolymerization with collagen leads to an increase in G′, as collagen structure contains a flexible polymer chain, which bestows its elastic properties. Elasticity of the proposed structure correlates with the number of intermolecular cross-links in the hydrogel network, increasing viscosity. However, at 8 minutes, G′ and G″ values sharply decreased for pure collagen solutions due to the decomposition of the elastic and viscose network. Complex viscosity is related to the mechanical performance and resistance opposing deformation of the hydrogel. Complex viscosity of PNVCL-g-Col hydrogel was drastically changed with temperature and the mechanical performance of PNVCL-g-Col hydrogel network increased, exhibiting lesser deformation. Rheological assessment of the novel thermo-responsive PNVCL-g-Col hydrogel, exhibited that the network has stronger mechanical properties due to both permanent stable covalent bonds and physical interactions, such as hydrogen- and hydrophobic bonds depending on temperature.Keywords: poly(N-vinylcaprolactam)-g-collagen, thermoresponsive polymer, rheology, elastic modulus, stimuli-sensitive
Procedia PDF Downloads 2431212 Produced Gas Conversion of Microwave Carbon Receptor Reforming
Authors: Young Nam Chun, Mun Sup Lim
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Carbon dioxide and methane, the major components of biomass pyrolysis/gasification gas and biogas, top the list of substances that cause climate change, but they are also among the most important renewable energy sources in modern society. The purpose of this study is to convert carbon dioxide and methane into high-quality energy using char and commercial activated carbon obtained from biomass pyrolysis as a microwave receptor. The methane reforming process produces hydrogen and carbon. This carbon is deposited in the pores of the microwave receptor and lowers catalytic activity, thereby reducing the methane conversion rate. The deposited carbon was removed by carbon gasification due to the supply of carbon dioxide, which solved the problem of microwave receptor inactivity. In particular, the conversion rate remained stable at over 90% when the ratio of carbon dioxide to methane was 1:1. When the reforming results of carbon dioxide and methane were compared after fabricating nickel and iron catalysts using commercial activated carbon as a carrier, the conversion rate was higher in the iron catalyst than in the nickel catalyst and when no catalyst was used.Keywords: microwave, gas reforming, greenhouse gas, microwave receptor, catalyst
Procedia PDF Downloads 3791211 Mesoporous Carbon Ceramic SiO2/C Prepared by Sol-Gel Method and Modified with Cobalt Phthalocyanine and Used as an Electrochemical Sensor for Nitrite
Authors: Abdur Rahim, Lauro Tatsuo Kubota, Yoshitaka Gushikem
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Carbon ceramic mesoporous SiO2/50wt%C (SBET= 170 m2g-1), where C is graphite, was prepared by the sol gel method. Scanning electron microscopy images and the respective element mapping showed that, within the magnification used, no phase segregation was detectable. It presented the electric conductivities of 0.49 S cm-1. This material was used to support cobalt phthalocyanine, prepared in situ, to assure a homogeneous dispersion of the electro active complex in the pores of the matrix. The surface density of cobalt phthalocyanine, on the matrix surfaces was 0.015 mol cm-2. Pressed disk, made with SiO2/50wt%C/CoPc, was used to fabricate an electrode and tested as sensors for nitrite determination by electro chemical technique. A linear response range between 0.039 and 0.42 mmol l−1,and correlation coefficient r=0.9996 was obtained. The electrode was chemically very stable and presented very high sensitivity for this analyte, with a limit of detection, LOD = 1.087 x 10-6 mol L-1.Keywords: SiO2/C/CoPc, sol-gel method, electrochemical sensor, nitrite oxidation, carbon ceramic material, cobalt phthalocyanine
Procedia PDF Downloads 3171210 Analysis of Soft and Hard X-Ray Intensities Using Different Shapes of Anodes in a 4kJ Mather Type Plasma Focus Facility
Authors: Mahsa Mahtab, Morteza Habibi
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The effect of different anode tip geometries on the intensity of soft and hard x-ray emitted from a 4 kJ plasma focus device is investigated. For this purpose, 5 different anode tips are used. The shapes of the uppermost region of these anodes have been cylindrical-flat, cylindrical-hollow, spherical-convex, cone-flat and cone-hollow. Analyzed data have shown that cone-flat, spherical-convex and cone-hollow anodes significantly increase X-ray intensity respectively in comparison with cylindrical-flat anode; while the cylindrical-hollow tip decreases. Anode radius reduction at its end in conic or spherical anodes enhance SXR by increasing plasma density through collecting a greater mass of gas and more gradual transition phase to form a more stable dense plasma pinch. Also, HXR is enhanced by increasing the energy of electrons colliding with the anode surface through raise of induced electrical field. Finally, the cone-flat anode is introduced to use in cases in which the plasma focus device is used as an X-ray source due to its highest yield of X-ray emissions.Keywords: plasma focus, anode tip, HXR, SXR, pinched plasma
Procedia PDF Downloads 4001209 Socioeconomic Status and Gender Influence on Linguistic Change: A Case Study on Language Competence and Confidence of Multilingual Minority Language Speakers
Authors: Stefanie Siebenhütter
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Male and female speakers use language differently and with varying confidence levels. This paper contrasts gendered differences in language use with socioeconomic status and age factors. It specifically examines how Kui minority language use and competence are conditioned by the variable of gender and discusses potential reasons for this variation by examining gendered language awareness and sociolinguistic attitudes. Moreover, it discusses whether women in Kui society function as 'leaders of linguistic change', as represented in Labov’s sociolinguistic model. It discusses whether societal role expectations in collectivistic cultures influence the model of linguistic change. The findings reveal current Kui speaking preferences and give predictions on the prospective language use, which is a stable situation of multilingualism because the current Kui speakers will socialize and teach the prospective Kui speakers in the near future. It further confirms that Lao is losing importance in Kui speaker’s (female’s) daily life.Keywords: gender, identity construction, language change, minority language, multilingualism, sociolinguistics, social Networks
Procedia PDF Downloads 1771208 Performance of CO₂/N₂ Foam in Enhanced Oil Recovery
Authors: Mohamed Hassan, Rahul Gajbhiye
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The high mobility and gravity override of CO₂ gas can be minimized by generating the CO₂ foam with the aid of surfactant. However, CO₂ is unable to generate the foam/stable foam above its supercritical point (1100 psi, 31°C). These difficulties with CO₂ foam is overcome by adding N₂ in small fraction to enhance the foam generation of CO₂ at supercritical conditions. This study shows how the addition of small quantity of N₂ helps in generating the CO₂ foam and performance of the CO₂/N₂ mixture foam in enhanced oil recovery. To investigate the performance of CO₂/N₂ foam, core-flooding experiments were conducted at elevated pressure and temperature condition (higher than supercritical CO₂ - 50°C and 1500 psi) in sandstone cores. Fluorosurfactant (FS-51) was used as a foaming agent, and n-decane was used as model oil in all the experiments. The selection of foam quality and N₂ fraction was optimized based on foam generation and stability tests. Every gas or foam flooding was preceded by seawater injection to simulate the behavior in the reservoir. The results from the core-flood experiments showed that the CO₂ and CO₂/N₂ foam flooding recovered an additional 34-40% of Original Initial Oil in Place (OIIP) indicating that foam flooding succeeded in producing more oil than pure CO₂ gas injection processes. Additionally, the performance CO₂/N₂ foam injection was better than CO₂ foam injection.Keywords: CO₂/N₂ foam, enhanced oil recovery (EOR), supercritical CO₂, sweep efficiency
Procedia PDF Downloads 2761207 Electrochemical Corrosion Behavior of New Developed Titanium Alloys in Ringer’s Solution
Authors: Yasser M. Abd-elrhman, Mohamed A. Gepreel, Kiochi Nakamura, Ahmed Abd El-Moneim, Sengo Kobayashi, Mervat M. Ibrahim
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Titanium alloys are known as highly bio compatible metallic materials due to their high strength, low elastic modulus, and high corrosion resistance in biological media. Besides other important material features, the corrosion parameters and corrosion products are responsible for limiting the biological and chemical bio compatibility of metallic materials that produce undesirable reactions in implant-adjacent and/or more distant tissues. Electrochemical corrosion behaviors of novel beta titanium alloys, Ti-4.7Mo-4.5Fe, Ti-3Mo-0.5Fe, and Ti-2Mo-0.5Fe were characterized in naturally aerated Ringer’s solution at room temperature compared with common used biomedical titanium alloy, Ti-6Al-4V. The corrosion resistance of titanium alloys were investigated through open circuit potential (OCP), potentiodynamic polarization measurements and optical microscope (OM). A high corrosion resistance was obtained for all alloys due to the stable passive film formed on their surfaces. The new present alloys are promising metallic biomaterials for the future, owing to their very low elastic modulus and good corrosion resistance capabilities.Keywords: titanium alloys, corrosion resistance, Ringer’s solution, electrochemical corrosion
Procedia PDF Downloads 6591206 Digital Twin Strategies and Technologies for Modern Supply Chains
Authors: Mayank Sharma, Anubhaw Kumar, Siddharth Desai, Ankit Tomar
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With the advent of cost-effective hardware and communication technologies, the scope of digitalising operations within a supply chain has tremendously increased. This has provided the opportunity to create digital twins of entire supply chains through the use of Internet-of-Things (IoT) and communication technologies. Adverse events like the COVID-19 pandemic and unpredictable geo-political situations have further warranted the importance of digitalization and remote operability of day-to-day operations at critical nodes. Globalisation, rising consumerism & e-commerce has exponentially increased the complexities of existing supply chains. We discuss here a scalable, future-ready and inclusive framework for creating digital twins developed along with the industry leaders from Cisco, Bosch, Accenture, Intel, Deloitte & IBM. We have proposed field-tested key technologies and frameworks required for creating digital twins. We also present case studies of real-life stable deployments done by us in the supply chains of a few marquee industry leaders.Keywords: internet-of-things, digital twins, smart factory, industry 4.0, smart manufacturing
Procedia PDF Downloads 961205 Modified Step Size Patch Array Antenna for UWB Wireless Applications
Authors: Hamid Aslani, Ahmed Radwan
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In this paper, a single element microstrip antenna is presented for UWB applications by using techniques as partial ground plane and modified the shape of the patch. The antenna is properly designed to have a compact size and constant gain against frequency. The simulated results have done using two EM software and show good agreement with the measured results for the fabricated antenna. Then a designing of two elements patch antenna array for UWB in the frequency band of 3.1-10 GHz is presented in this paper. The array is constructed by means of feeding two omni-directional modified circular patch elements with a modified power divider. Experimental results show that the array has a stable radiation pattern and low return loss over a broad bandwidth of 64% (3.1–10 GHz). Due to its planar profile, physically compact size, wide impedance bandwidth, directive performance over a wide bandwidth proposed antenna is a good candidate for portable UWB applications and other UWB integrated circuits.Keywords: ultra wide band, radiation performance, microstrip antenna, size miniaturized antenna
Procedia PDF Downloads 2581204 Molecular and Electronic Structure of Chromium (III) Cyclopentadienyl Complexes
Authors: Salem El-Tohami Ashoor
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Here we show that the reduction of [Cr(ArN(CH2)3NAr)2Cl2] (1) where (Ar = 2,6-Pri2C6H3) and in presence of NaCp (2) (Cp= C5H5 = cyclopentadien), with a center coordination η5 interaction between Cp as co-ligand and chromium metal center, this was optimization by using density functional theory (DFT) and then was comparing with experimental data, also other possibility of Cp interacted with ion metal were tested like η1 ,η2 ,η3 and η4 under optimization system. These were carried out under investigation of density functional theory (DFT) calculation, and comparing together. Other methods, explicitly including electron correlation, are necessary for more accurate calculations; MB3LYP ( Becke)( Lee–Yang–Parr ) level of theory often being used to obtain more exact results. These complexes were estimated of electronic energy for molecular system, because it accounts for all electron correlation interactions. The optimised of [Cr(ArN(CH2)3NAr)2(η5-Cp)] (Ar = 2,6-Pri2C6H3 and Cp= C5H5) was found to be thermally more stable than others of chromium cyclopentadienyl. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.Keywords: Chromium(III) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO
Procedia PDF Downloads 5061203 Relative Navigation with Laser-Based Intermittent Measurement for Formation Flying Satellites
Authors: Jongwoo Lee, Dae-Eun Kang, Sang-Young Park
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This study presents a precise relative navigational method for satellites flying in formation using laser-based intermittent measurement data. The measurement data for the relative navigation between two satellites consist of a relative distance measured by a laser instrument and relative attitude angles measured by attitude determination. The relative navigation solutions are estimated by both the Extended Kalman filter (EKF) and unscented Kalman filter (UKF). The solutions estimated by the EKF may become inaccurate or even diverge as measurement outage time gets longer because the EKF utilizes a linearization approach. However, this study shows that the UKF with the appropriate scaling parameters provides a stable and accurate relative navigation solutions despite the long measurement outage time and large initial error as compared to the relative navigation solutions of the EKF. Various navigation results have been analyzed by adjusting the scaling parameters of the UKF.Keywords: satellite relative navigation, laser-based measurement, intermittent measurement, unscented Kalman filter
Procedia PDF Downloads 3571202 Dynamics of a Reaction-Diffusion Problems Modeling Two Predators Competing for a Prey
Authors: Owolabi Kolade Matthew
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In this work, we investigate both the analytical and numerical studies of the dynamical model comprising of three species system. We analyze the linear stability of stationary solutions in the one-dimensional multi-system modeling the interactions of two predators and one prey species. The stability analysis has a lot of implications for understanding the various spatiotemporal and chaotic behaviors of the species in the spatial domain. The analysis results presented have established the possibility of the three interacting species to coexist harmoniously, this feat is achieved by combining the local and global analyzes to determine the global dynamics of the system. In the presence of diffusion, a viable exponential time differencing method is applied to multi-species nonlinear time-dependent partial differential equation to address the points and queries that may naturally arise. The scheme is described in detail, and justified by a number of computational experiments.Keywords: asymptotically stable, coexistence, exponential time differencing method, global and local stability, predator-prey model, nonlinear, reaction-diffusion system
Procedia PDF Downloads 4121201 Analysis of the CO2 Emissions of Public Passenger Transport in Tianjin City of China
Authors: Tao Zhao, Xianshuo Xu
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Low-carbon public passenger transport is an important part of low carbon city. The CO2 emissions of public passenger transport in Tianjin from 1995 to 2010 are estimated with IPCC CO2 counting method, which shows that the total CO2 emissions of Tianjin public passenger transport have gradually become stable at 1,425.1 thousand tons. And then the CO2 emissions of the buses, taxies, and rail transits are calculated respectively. A CO2 emission of 829.9 thousand tons makes taxies become the largest CO2 emissions source among the public passenger transport in Tianjin. Combining with passenger volume, this paper analyzes the CO2 emissions proportion of the buses, taxies, and rail transits compare the passenger transport rate with the proportion of CO2 emissions, as well as the CO2 emissions change of per 10,000 people. The passenger volume proportion of bus among the three public means of transport is 72.62% which is much higher than its CO2 emissions proportion of 36.01%, with the minimum number of CO2 emissions per 10,000 people of 4.90 tons. The countermeasures to reduce CO2 emissions of public passenger transport in Tianjin are to develop rail transit, update vehicles and use alternative fuel vehicles.Keywords: public passenger transport, carbon emissions, countermeasures, China
Procedia PDF Downloads 4291200 Transition Metal Bis(Dicarbollide) Complexes in Design of Molecular Switches
Authors: Igor B. Sivaev
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Design of molecular machines is an extraordinary growing and very important area of research that it was recognized by awarding Sauvage, Stoddart and Feringa the Nobel Prize in Chemistry in 2016 'for the design and synthesis of molecular machines'. Based on the type of motion being performed, molecular machines can be divided into two main types: molecular motors and molecular switches. Molecular switches are molecules or supramolecular complexes having bistability, i.e., the ability to exist in two or more stable forms, among which may be reversible transitions under external influence (heating, lighting, changing the medium acidity, the action of chemicals, exposure to magnetic or electric field). Molecular switches are the main structural element of any molecular electronics devices. Therefore, the design and the study of molecules and supramolecular systems capable of performing mechanical movement is an important and urgent problem of modern chemistry. There is growing interest in molecular switches and other devices of molecular electronics based on transition metal complexes; therefore choice of suitable stable organometallic unit is of great importance. An example of such unit is bis(dicarbollide) complexes of transition metals [3,3’-M(1,2-C₂B₉H₁₁)₂]ⁿ⁻. The control on the ligand rotation in such complexes can be reached by introducing substituents which could provide stabilization of certain rotamers due to specific interactions between the ligands, on the one hand, and which can participate as Lewis bases in complex formation with external metals resulting in a change in the rotation angle of the ligands, on the other hand. A series of isomeric methyl sulfide derivatives of cobalt bis(dicarbollide) complexes containing methyl sulfide substituents at boron atoms in different positions of the pentagonal face of the dicarbollide ligands [8,8’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻, rac-[4,4’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻ and meso-[4,7’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻ were synthesized by the reaction of CoCl₂ with the corresponding methyl sulfide carborane derivatives [10-MeS-7,8-C₂B₉H₁₁)₂]⁻ and [10-MeS-7,8-C₂B₉H₁₁)₂]⁻. In the case of asymmetrically substituted cobalt bis(dicarbollide) complexes the corresponding rac- and meso-isomers were successfully separated by column chromatography as the tetrabutylammonium salts. The compounds obtained were studied by the methods of ¹H, ¹³C, and ¹¹B NMR spectroscopy, single crystal X-ray diffraction, cyclic voltammetry, controlled potential coulometry and quantum chemical calculations. It was found that in the solid state, the transoid- and gauche-conformations of the 8,8’- and 4,4’-isomers are stabilized by four intramolecular CH···S(Me)B hydrogen bonds each one (2.683-2.712 Å and 2.709-2.752 Å, respectively), whereas gauche-conformation of the 4,7’-isomer is stabilized by two intramolecular CH···S hydrogen bonds (2.699-2.711 Å). The existence of the intramolecular CH·S(Me)B hydrogen bonding in solutions was supported by the 1H NMR spectroscopy. These data are in a good agreement with results of the quantum chemical calculations. The corresponding iron and nickel complexes were synthesized as well. The reaction of the methyl sulfide derivatives of cobalt bis(dicarbollide) with various labile transition metal complexes results in rupture of intramolecular hydrogen bonds and complexation of the methyl sulfide groups with external metal. This results in stabilization of other rotational conformation of cobalt bis(dicarbollide) and can be used in design of molecular switches. This work was supported by the Russian Science Foundation (16-13-10331).Keywords: molecular switches, NMR spectroscopy, single crystal X-ray diffraction, transition metal bis(dicarbollide) complexes, quantum chemical calculations
Procedia PDF Downloads 1721199 Synthesis and Electrochemical Characterization of a Copolymer (PANI/PEDOT:PSS) for Application in Supercapacitors
Authors: Naima Boudieb, Mohamed Loucif Seaid, Imad Rati, Imane Benammane
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The aim of this study is to synthesis of a copolymer PANI/PEDOT:PSS by electrochemical means to apply in supercapacitors. Polyaniline (PANI) is a conductive polymer; it was synthesized by electrochemical polymerization. It exhibits very stable properties in different environments, whereas PEDOT:PSS is a conductive polymer based on poly(3,4-ethylenedioxythiophene) (PEDOT) and poly(styrene sulfonate)(PSS). It is commonly used with polyaniline to improve its electrical conductivity. Several physicochemical and electrochemical techniques were used for the characterization of PANI/PEDOT:PSS: cyclic voltammetry (VC), electrochemical impedance spectroscopy (EIS), open circuit potential, SEM, X-ray diffraction, etc. The results showed that the PANI/PEDOT:PSS composite is a promising material for supercapacitors due to its high electrical conductivity and high porosity. Electrochemical and physicochemical characterization tests have shown that the composite has high electrical and structural performances, making it a material of choice for high-performance energy storage applications.Keywords: energy storage, supercapacitors, SIE, VC, PANI, poly(3, 4-ethylenedioxythiophene, PEDOT, polystyrene sulfonate
Procedia PDF Downloads 631198 LES Investigation of the Natural Vortex Length in a Small-Scale Gas Cyclone
Authors: Dzmitry Misiulia, Sergiy Antonyuk
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Small-scale cyclone separators are widely used in aerosol sampling. The flow field in a cyclone sampler is very complex, especially the vortex behavior. Most of the existing models for calculating cyclone efficiency use the same stable vortex structure while the vortex demonstrates dynamic variations rather than the steady-state picture. It can spontaneously ‘end’ at some point within the body of the separator. Natural vortex length is one of the most critical issues when designing and operating gas cyclones and is crucial to proper cyclone performance. The particle transport along the wall to the grid pot is not effective beyond this point. The flow field and vortex behavior inside the aerosol sampler have been investigated for a wide range of Reynolds numbers using Large Eddy Simulations. Two characteristics types of vortex behavior have been found with simulations. At low flow rates the vortex created in the cyclone dissipates in free space (without attaching to a surface) while at higher flow rates it attaches to the cyclone wall. The effects of the Reynolds number on the natural vortex length and the rotation frequency of the end of the vortex have been revealed.Keywords: cyclone, flow field, natural vortex length, pressure drop
Procedia PDF Downloads 1581197 Investigating Elastica and Post Buckling Behavior Columns Using the Modified Newmark Method
Authors: Seyed Amin Vakili, Sahar Sadat Vakili, Seyed Ehsan Vakili, Nader Abdoli Yazdi
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The purpose of this article is to analyze the finite displacement of Columns by applying the Modified Newmark Method. This research will be performed on Columns subjected to compressive axial load, therefore the non-linearity of the geometry is also considered. If the considered strut is perfect, the governing differential equation contains a branching point in the solution path. Investigation into the Elastica is a part of generalizing the developed method. It presents the ability of the Modified Newmark Method in treating non-linear differential equations Derived from elastic strut stability problems. These include not only an approximate polynomial solution for the Elastica problems, but can also recognize the branching point and the stable solution. However, this investigation deals with the post-buckling response of elastic and pin ended columns subjected to central or equally eccentric axial loads.Keywords: columns, structural modeling, structures & structural stability, loads
Procedia PDF Downloads 3141196 Development and Characterization of a Polymer Composite Electrolyte to Be Used in Proton Exchange Membranes Fuel Cells
Authors: B. A. Berns, V. Romanovicz, M. M. de Camargo Forte, D. E. O. S. Carpenter
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The Proton Exchange Membranes (PEM) are largely studied because they operate at low temperatures and they are suitable for mobile applications. However, There are some deficiencies in their operation, Mainly those that use ethanol as a hydrogen source that require a certain attention. Therefore, This research aimed to develop Nafion® composite membranes, Mixing clay minerals, Kaolin and halloysite to the polymer matrix in order to improve the ethanol molecule retentions and at the same time to keep the system’s protonic conductivity. The modified Nafion/Kaolin, Nafion/Halloysite composite membranes were prepared in weight proportion of 0.5, 1.0 and 1.5. The membranes obtained were characterized as to their ethanol permeability, Protonic conductivity and water absorption. The composite morphology and structure are characterized by SEM and EDX and also the thermal behavior is determined by TGA and DSC. The analysis of the results shows ethanol permeability reduction from 48% to 63%. However, The protonic conductivity results are lower in relation to pure Nafion®. As to the thermal behavior, The Nafion® composite membranes were stable up to a temperature of 325ºC.Keywords: Polymer-matrix composites (PMCs), thermal properties, nanoclay, differential scanning calorimetry
Procedia PDF Downloads 4001195 The Impact of Foreign Direct Investment on Economic Growth of Ethiopia: Econometrics Cointegration Analysis
Authors: Dejene Gizaw Kidane
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This study examines the impact of foreign direct investment on economic growth of Ethiopia using yearly time-series data for 1974 through 2013. Economic growth is proxies by real per capita gross domestic product and foreign direct investment proxies by the inflow of foreign direct investment. Other control variables such as gross domestic saving, trade, government consumption and inflation has been incorporated. In order to fully account for feedbacks, a vector autoregressive model is utilized. The results show that there is a stable, long-run relationship between foreign direct investment and economic growth. The variance decomposition results show that the main sources of Ethiopia economic growth variations are due largely own shocks. The pairwise Granger causality results show that there is a unidirectional causality that runs from FDI to economic growth of Ethiopia. Hence, the researcher therefore recommends that, FDI facilitate economic growth, so the government has to exert much effort in order to attract more FDI into the country.Keywords: real per capita GDP, FDI, co-integration, VECM, Granger causality
Procedia PDF Downloads 4361194 The Role of Smartphones on Iranian Couples' Relationship: An Analysis
Authors: Niloofar Hooman
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The present study aims at investigating the positive and negative effects of using Smartphones on couples committed relationships. Despite the fact that many couples may benefit from the positive aspects of Smartphones, it is not clear how their feeling of trust, intimacy and connection in their relationships get affected by Smartphones. This is important as it highlights the ambivalent influences of Smartphones on couple’s relationships. On the one hand, Smartphones can enhance their social and emotional interactions and on the other hand, they can cause mistrust and isolation between them. Trust, intimacy and honesty are of important factors through which a stable relationship can be constructed. Nevertheless, some characteristics of Smartphones such as being fluid and personalized can harm the relationship and consequently destroy it. Thus, it is necessary to investigate how Iranian couples in committed relationships use Smartphone to manage their relationship and how couples feel Smartphone have enhanced or detracted a sense of trust, intimacy and connection with their partner? In the first phase of the study, in-depth-interview will be conducted with 30 couples and data will be analyzed using NVIVO software. In the next phase of the study, 1500 participants aged 20 and above will be selected based on cluster sampling. Data will be analyzed both qualitatively and quantitatively.Keywords: couple, family, internet, intimacy, Smartphone, trust
Procedia PDF Downloads 3901193 Effect of Retained Austenite Stability in Corrosion Mechanism of Dual Phase High Carbon Steel
Authors: W. Handoko, F. Pahlevani, V. Sahajwalla
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Dual-phase high carbon steels (DHCS) are commonly known for their improved strength, hardness, and abrasive resistance properties due to co-presence of retained austenite and martensite at the same time. Retained austenite is a meta-stable phase at room temperature, and stability of this phase governs the response of DHCS at different conditions. This research paper studies the effect of RA stability on corrosion behaviour of high carbon steels after they have been immersed into 1.0 M NaCl solution for various times. For this purpose, two different steels with different RA stabilities have been investigated. The surface morphology of the samples before and after corrosion attack was observed by secondary electron microscopy (SEM) and atomic force microscopy (AFM), along with the weight loss and Vickers hardness analysis. Microstructural investigations proved the preferential attack to retained austenite phase during corrosion. Hence, increase in the stability of retained austenite in dual-phase steels led to decreasing the weight loss rate.Keywords: high carbon steel, austenite stability, atomic force microscopy, corrosion
Procedia PDF Downloads 2101192 Corporate Governance and Accountability: Nigeria Perspective
Authors: Obazee Osariere
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Corporate governance has been an emerging subject of worldwide interest in the 21st century following the failure of going concerns that were hitherto thought to be financially stable before their collapse. Nigeria has had its fair share of corporate collapse, which has made it embrace and develop its corporate governance regime. This paper seeks to undertake an overview of corporate governance and accountability: Nigeria's perspective. This paper examines the various ways the concept has been viewed, its various dimensions, and its basic principles as a major instrument of ensuring corporate governance and accountability and confidence in the operations of organisations. The paper, which adopts a qualitative research method, however, provides an essential theoretical framework within which better practice of corporate governance and accountability can be evolved for appreciable corporate results in the Nigerian business environment. Thus, a historical perspective is adopted to understudy the evolution of corporate governance and accountability from its little beginning to the present time. The adoption of these strategies, it is argued, will engender participation by various principles, engender mutual understanding, build social support and ensure accountability and openness. Such strategies would also help in attitude and behavioural change required to instill in the operators of corporate organisations the best practice enshrined in corporate governance and accountability.Keywords: corporate governance, accountability, organisations, Nigeria, perspective
Procedia PDF Downloads 122