Search results for: fusion reactions

Authors: Raffaele A. Calogero

Abstract:

RNAseq represents an attractive methodology for the detection of functional genomic variants. RNAseq results obtained from polyA+ RNA selection protocol (POLYA) and from exonic regions capturing protocol (ACCESS) indicate that ACCESS detects 10% more coding SNV/INDELs with respect to POLYA. ACCESS requires less reads for coding SNV detection with respect to POLYA. However, if the analysis aims at identifying SNV/INDELs also in the 5’ and 3’ UTRs, POLYA is definitively the preferred method. No particular advantage comes from ACCESS or POLYA in the detection of fusion transcripts.

Keywords: fusion transcripts, INDEL, RNA-seq, WES, SNV

Procedia PDF Downloads 265

Authors: Imad Eddine Charif, Wafaa Benchouk, Sidi Mohamed Mekelleche

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The regioselectivity of a series of 16 1,3-dipolar cycloaddition reactions of nitrile oxides with 2(5H)-furanones has been analysed by means of global and local electrophilic and nucleophilic reactivity indices using density functional theory at the B3LYP level together with the 6-31G(d) basis set. The local electrophilicity and nucleophilicity indices, based on Fukui and Parr functions, have been calculated for the terminal sites, namely the C1 and O3 atoms of the 1,3-dipole and the C4 and C5 atoms of the dipolarophile. These local indices were calculated using both Mulliken and natural charges and spin densities. The results obtained show that the C5 atom of the 2(5H)-furanones is the most electrophilic site whereas the O3 atom of the nitrile oxides is the most nucleophilic centre. It turns out that the experimental regioselectivity is correctly reproduced, indicating that both Fukui- and Parr-based indices are efficient tools for the prediction of the regiochemistry of the studied reactions and could be used for the prediction of newly designed reactions of the same kind.

Keywords: 1, 3-dipolar cycloaddition, density functional theory, nitrile oxides, regioselectivity, reactivity indices

Procedia PDF Downloads 143

Authors: Aghasadeghi MR., Bahramali G., Sadat SM., Sadeghi SA., Yousefi M., Khodaei K., Ghorbani M., Sadat Larijani M.

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Background:The emerging COVID-19 pandemic is a serious concernfor the public health worldwide. Despite the many mutations in the virus genome, it is important to find an effective vaccine against viral mutations. Therefore, in current study, we aimed at immunoinformatic evaluation of the virus proteins immunogenicity to design a preventive vaccine candidate, which could elicit humoral and cellular immune responses as well. Methods:Three antigenic regions are included;Spike, Membrane, and Nucleocapsid amino acid sequences were obtained, and possible fusion proteins were assessed andcompared by immunogenicity, structural features, and population coverage. The best fusion protein was also evaluated for MHC-I and MHC-II T-cell epitopes and the linear and conformational B-cell epitopes. Results: Among the four predicted models, the truncated Spike protein in fusion with M and N proteins is composed of 24 highly immunogenic human MHC class I and 29 MHC class II, along with 14 B-cell linear and 61 discontinues epitopes. Also, the selected protein has high antigenicity and acceptable population coverage of 82.95% in Iran and 92.51% in Europe. Conclusion: The data indicate that the truncated Spike-M-N SARS-CoV-2form which could be potential targets of neutralizing antibodies. The protein also has the ability to stimulate humoral and cellular immunity. The in silico study provided the fusion protein as a potential preventive vaccine candidate for further in vivo evaluation.

Keywords: SARS-CoV-2, immunoinformatic, protein, vaccine

Procedia PDF Downloads 189

Authors: Adewole A. Ayoade, Marshall R. Sweatt, John P. H. Steele, Qi Han, Khaled Al-Wahedi, Hamad Karki, William A. Yearsley

Abstract:

Understanding the behavioral characteristics of sensors is a crucial step in fusing data from several sensors of different types. This paper introduces a practical, real-time approach to integrate heterogeneous sensor data to achieve higher accuracy than would be possible from any one individual sensor in localizing a mobile robot. We use this approach in both indoor and outdoor environments and it is especially appropriate for those environments like oil and gas refineries due to their sparse and featureless nature. We have studied the individual contribution of each sensor data to the overall combined accuracy achieved from the fusion process. A Sequential Update Extended Kalman Filter(EKF) using validation gates was used to integrate GPS data, Compass data, WiFi data, Inertial Measurement Unit(IMU) data, Vehicle Velocity, and pose estimates from Fiducial marker system. Results show that the approach can enable a mobile robot to navigate autonomously in any environment using a priori information.

Keywords: inspection mobile robot, navigation, sensor fusion, sequential update extended Kalman filter

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Authors: Tzyy-Rong Jinn, Sheng-Kuo Hsieh, Yi-Ching Chung, Feng-Chia Hsieh

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In this study, we attempted to develop a recombinant oleosin-based fusion expression strategy in Escherichia coli (E. coli) and coupled with the artificial oil bodies (AOB)-cyanogen bromide technology platform to produce bioactive mastoparan B (MP-B). As reported, the oleosin in AOB system plays a carrier (fusion with target protein), since oleosin possess two amphipathic regions (at the N-terminus and C-terminus), which result in the N-terminus and C-terminus of oleosin could be arranged on the surface of AOB. Thus, the target protein fused to the N-terminus or C-terminus of oleosin which also is exposed on the surface of AOB, and this process will greatly facilitate the subsequent separation and purification of target protein from AOB. In addition, oleosin, a unique structural protein of seed oil bodies, has the added advantage of helping the fused MP-B expressed in inclusion bodies, which can protect from proteolytic degradation. In this work, MP-B was fused to the C-terminus of oleosin and then was expressed in E. coli as an insoluble recombinant protein. As a consequence, we successfully developed a reliable recombinant oleosin-based fusion expression strategy in Escherichia coli and coupled with the artificial oil bodies (AOB)-cyanogen bromide technology platform to produce the small peptide, MP-B. Take together, this platform provides an insight into the production of active MP-B, which will facilitate studies and applications of this peptide in the future.

Keywords: artificial oil bodies, Escherichia coli, Oleosin-fusion protein, Mastoparan-B

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Authors: Musa Akdere, Gunnar Seide, Thomas Gries

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Carbon fibres are fibrous materials with a carbon atom amount of more than 90%. They combine excellent mechanicals properties with a very low density. Thus carbon fibre reinforced plastics (CFRP) are very often used in lightweight design and construction. The precursor material is usually polyacrylonitrile (PAN) based and wet-spun. During the production of carbon fibre, the precursor has to be stabilized thermally to withstand the high temperatures of up to 1500 °C which occur during carbonization. Even though carbon fibre has been used since the late 1970s in aerospace application, there is still no general method available to find the optimal production parameters and the trial-and-error approach is most often the only resolution. To have a much better insight into the process the chemical reactions during stabilization have to be analyzed particularly. Therefore, a model of the chemical reactions (cyclization, dehydration, and oxidation) based on the research of Dunham and Edie has been developed. With the presented model, it is possible to perform a complete simulation of the fibre undergoing all zones of stabilization. The fiber bundle is modeled as several circular fibers with a layer of air in-between. Two thermal mechanisms are considered to be the most important: the exothermic reactions inside the fiber and the convective heat transfer between the fiber and the air. The exothermic reactions inside the fibers are modeled as a heat source. Differential scanning calorimetry measurements have been performed to estimate the amount of heat of the reactions. To shorten the required time of a simulation, the number of fibers is decreased by similitude theory. Experiments were conducted to validate the simulation results of the fibre temperature during stabilization. The experiments for the validation were conducted on a pilot scale stabilization oven. To measure the fibre bundle temperature, a new measuring method is developed. The comparison of the results shows that the developed simulation model gives good approximations for the temperature profile of the fibre bundle during the stabilization process.

Keywords: carbon fibre, coupled simulation, exothermic reactions, fibre-air-interface

Procedia PDF Downloads 247

Authors: Rui Liu, Klaus Greve

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The navigation information is a kind of dynamic geographic information, and the navigation information system is a kind of special geographic information system. At present, there are many researches on the application of centralized management and cross-integration application of basic geographic information. However, the idea of information integration and sharing is not deeply applied into the research of navigation information service. And the imperfection of navigation target coordination and navigation information sharing mechanism under certain navigation tasks has greatly affected the reliability and scientificity of navigation service such as path planning. Considering this, the project intends to study the multi-source information fusion and multi-objective united navigation information interaction mechanism: first of all, investigate the actual needs of navigation users in different areas, and establish the preliminary navigation information classification and importance level model; and then analyze the characteristics of the remote sensing and GIS vector data, and design the fusion algorithm from the aspect of improving the positioning accuracy and extracting the navigation environment data. At last, the project intends to analyze the feature of navigation information of the land, sea and air navigation targets, and design the united navigation data standard and navigation information sharing model under certain navigation tasks, and establish a test navigation system for united navigation simulation experiment. The aim of this study is to explore the theory of united navigation service and optimize the navigation information service model, which will lay the theory and technology foundation for the united navigation of land, sea and air targets.

Keywords: information fusion, united navigation, dynamic path planning, navigation information visualization

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Authors: Joe Amalraj, M. Arunkumar

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Haze is an atmospheric phenomenon that signicantly degrades the visibility of outdoor scenes. This is mainly due to the atmosphere particles that absorb and scatter the light. This paper introduces a novel single image approach that enhances the visibility of such degraded images. In this method is a fusion-based strategy that derives from two original hazy image inputs by applying a white balance and a contrast enhancing procedure. To blend effectively the information of the derived inputs to preserve the regions with good visibility, we filter their important features by computing three measures (weight maps): luminance, chromaticity, and saliency. To minimize artifacts introduced by the weight maps, our approach is designed in a multiscale fashion, using a Laplacian pyramid representation. This paper demonstrates the utility and effectiveness of a fusion-based technique for de-hazing based on a single degraded image. The method performs in a per-pixel fashion, which is straightforward to implement. The experimental results demonstrate that the method yields results comparative to and even better than the more complex state-of-the-art techniques, having the advantage of being appropriate for real-time applications.

Keywords: single image de-hazing, outdoor images, enhancing, DSP

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Authors: P. S. Jagadeesh Kumar, Tracy Lin Huan, Rebecca K. Rossi, Yanmin Yuan, Xianpei Li

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The fiscal growth of any country hinges on the prudent administration of water resources. The river Yamuna and Ganga are measured as the life line of India as it affords the needs for life to endure. Earth observation over remote sensing images permits the precise description and identification of ingredients on the superficial from space and airborne platforms. Multiple and heterogeneous image sources are accessible for the same geographical section; multispectral, hyperspectral, radar, multitemporal, and multiangular images. In this paper, a taxonomical learning of the fluvial geomorphological features of river Yamuna and Ganga over doon valley using color fusion of multispectral remote sensing images was performed. Experimental results exhibited that the segmentation based colorization technique stranded on pattern recognition, and color mapping fashioned more colorful and truthful colorized images for geomorphological feature extraction.

Keywords: color fusion, geomorphology, fluvial processes, multispectral images, pattern recognition

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Authors: Yasser R. Shaban

Abstract:

A practical multipurpose device for medical isotopes production is most wanted for clinical centers and researches. Unfortunately, the major supply of these radioisotopes currently comes from aging sources, and there is a great deal of uneasiness in the domestic market. There are also many cases where the cost of certain radioisotopes is too high for their introduction on a commercial scale even though the isotopes might have great benefits for society. The medical isotopes such as radiotracers PET (Positron Emission Tomography), Technetium-99 m, and Iodine-131, Lutetium-177 by is feasible to be generated by a single unit named IEMC (Inertial Electrostatic Magnetic Confinement). The IEMC fusion vessel is the upgrading unit of the Inertial Electrostatic Confinement IEC fusion vessel. Comprehensive experimental works on IEC were carried earlier with promising results. The principle of inertial electrostatic magnetic confinement IEMC fusion is based on forcing the binary fuel ions to interact in the opposite directions in ions cyclotrons orbits with different kinetic energies in order to have equal compression (forces) and with different ion cyclotron frequency ω in order to increase the rate of intersection. The IEMC features greater fusion volume than IEC by several orders of magnitude. The particles rate from the IEMC approach are projected to be 8.5 x 10¹¹ (p/s), ~ 0.2 microampere proton, for D/He-3 fusion reaction and 4.2 x 10¹² (n/s) for D/T fusion reaction. The projected values of particles yield (neutrons and protons) are suitable for medical isotope productions on-site by a single unit without any change in the fusion vessel but only the fuel gas. The PET radiotracers are usually produced on-site by medical ion accelerator whereas Technetium-99m (Tc-99m) is usually produced off-site from the irradiation facilities of nuclear power plants. Typically, hospitals receive molybdenum-99 isotope container; the isotope decays to Tc-99mwith half-life time 2.75 days. Even though the projected current from IEMC is lesser than the proton current from the medical ion accelerator but still the IEMC vessel is simpler, and reduced in components and power consumption which add a new value of populating the PET radiotracers in most clinical centers. On the other hand, the projected neutrons flux from the IEMC is lesser than the thermal neutron flux at the irradiation facilities of nuclear power plants, but in the IEMC case the productions of Technetium-99m is suggested to be at the resonance region of which the resonance integral cross section is two orders of magnitude higher than the thermal flux. Thus it can be said the net activity from both is evened. Besides, the particle accelerator cannot be considered a multipurpose particles production unless a significant change is made to the accelerator to change from neutrons mode to protons mode or vice versa. In conclusion, the projected fusion yield from IEMC is a straightforward since slightly change in the primer IEC and ion source is required.

Keywords: electrostatic versus magnetic confinement fusion vessel, ion source, medical isotopes productions, neutron activation

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Authors: Zhou Mo, Dennis Chow

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In the dynamic positioning system (DPS) for vessels, the reliable information transmission between each note basically relies on the wireless protocols. From the perspective of cluster-based routing protocols for wireless sensor networks, the data fusion technology based on the sleep scheduling mechanism and remaining energy in network layer is proposed, which applies the sleep scheduling mechanism to the routing protocols, considering the remaining energy of node and location information when selecting cluster-head. The problem of uneven distribution of nodes in each cluster is solved by the Equilibrium. At the same time, Classified Forwarding Mechanism as well as Redelivery Policy strategy is adopted to avoid congestion in the transmission of huge amount of data, reduce the delay in data delivery and enhance the real-time response. In this paper, a simulation test is conducted to improve the routing protocols, which turn out to reduce the energy consumption of nodes and increase the efficiency of data delivery.

Keywords: DPS for vessel, wireless sensor network, data fusion, routing protocols

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Authors: Ali Alhajeri, Tarig Makki, Mosa Almutahhar, Mohammed Ahmed, Usman Ali

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Metal powder is the raw material used for laser powder-bed fusion (LPBF) additive manufacturing (AM). There are many metal materials that can be used in LPBF. The properties of these materials are varied between each other, which can affect the building part. The objective of this paper is to do an overview of the titanium powders available in LBPF. Comparison between different literature works will lead us to study the similarities and differences between the powder properties such as size, shape, and chemical composition. Furthermore, the results of this paper will point out the significant titanium powder properties in order to clearly illustrate their effect on the build parts.

Keywords: LPBF, titanium, Ti-6Al-4V, Ti-5553, metal powder, AM

Procedia PDF Downloads 140

Authors: Zhou Mo, Dennis Chow

Abstract:

In the dynamic positioning system (DPS) for vessels, the reliable information transmission between each note basically relies on the wireless protocols. From the perspective of cluster-based routing pro-tocols for wireless sensor networks, the data fusion technology based on the sleep scheduling mechanism and remaining energy in network layer is proposed, which applies the sleep scheduling mechanism to the routing protocols, considering the remaining energy of node and location information when selecting cluster-head. The problem of uneven distribution of nodes in each cluster is solved by the Equilibrium. At the same time, Classified Forwarding Mechanism as well as Redelivery Policy strategy is adopted to avoid congestion in the transmission of huge amount of data, reduce the delay in data delivery and enhance the real-time response. In this paper, a simulation test is conducted to improve the routing protocols, which turns out to reduce the energy consumption of nodes and increase the efficiency of data delivery.

Keywords: DPS for vessel, wireless sensor network, data fusion, routing protocols

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Authors: Juzar Vohra, Ravish Malhotra, Tim Pasang, Mana Azizi, Yuan Tao, Masami Mizutani

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In this paper, dissimilar welding of titanium to stainless steels is reported. Laser Beam Welding (LBW) and Gas Tungsten Arc Welding (GTAW) were employed to join CPTi to SS304. The welds were examined using scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS). FeTi, Ti2Cr and Fe2Ti dendrites are formed along with beta phase titanium matrix. The hardness values of these phases are high which makes them brittle and leading to cracking along the weld pool. However, it is believed that cracking, hence, fracturing of this weld joint is largely due to the difference in thermal properties of the two alloys.

Keywords: dissimilar metals, fusion welding, intermetallics, brittle

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Authors: Elene Tatunashvili, Bun Chan, Philippe E. Nashar, Christopher S. P. McErlean

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The reduction of aryl diazonium salts is one of the most efficient ways to generate aryl radicals for use in a wide range of transformations, including Sandmeyer-type reactions, Meerwein arylations of olefins and Gomberg-Bachmann-Hey arylations of heteroaromatic systems. The aryl diazonium species can be reduced electrochemically, by UV irradiation, inner-sphere and outer-sphere single electron transfer processes (SET) from metal salts, SET from photo-excited organic catalysts or fragmentation of adducts with weak bases (acetate, hydroxide, etc.). This paper details an approach for the metal-free reduction of aryl diazonium salts, which facilitates the efficient synthesis of various aromatic compounds under exceedingly mild reaction conditions. By measuring the oxidation potential of a number of organic molecules, a series of nucleophiles were identified that reduce aryl diazonium salts via the addition-fragmentation mechanism. This approach leads to unprecedented operational simplicity: The reactions are very rapid and proceed in the open air; there is no need for external irradiation or heating, and the process is compatible with a large number of radical reactions. We illustrate these advantages by using the addition-fragmentation strategy to regioselectively arylate a series of heterocyclic compounds, to synthesize ketones by arylation of silyl enol ethers, and to synthesize benzothiophene and phenanthrene derivatives by radical annulation reactions.

Keywords: diazonium salts, hantzsch esters, oxygen, radical reactions, synthetic methods

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Authors: Keyur Raval, Steffen Krohn, Bruno Moerschbacher

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Chitin, the biopolymer of the N-acetylglucosamine, is the most abundant biopolymer on the planet after cellulose. Industrially, chitin is isolated and purified from the shell residues of shrimps. A deacetylated derivative of chitin i.e. chitosan has more market value and applications owing to it solubility and overall cationic charge compared to the parent polymer. This deacetylation on an industrial scale is performed chemically using alkalis like sodium hydroxide. This reaction not only is hazardous to the environment owing to negative impact on the marine ecosystem. A greener option to this process is the enzymatic process. In nature, the naïve chitin is converted to chitosan by chitin deacetylase (CDA). This enzymatic conversion on the industrial scale is however hampered by the crystallinity of chitin. Thus, this enzymatic action requires the substrate i.e. chitin to be soluble which is technically difficult and an energy consuming process. We in this project wanted to address this shortcoming of CDA. In lieu of this, we have modeled a fusion protein with CDA and an auxiliary protein. The main interest being to increase the accessibility of the enzyme towards crystalline chitin. A similar fusion work with chitinases had improved the catalytic ability towards insoluble chitin. In the first step, suitable partners were searched through the protein data bank (PDB) wherein the domain architecture were sought. The next step was to create the models of the fused product using various in silico techniques. The models were created by MODELLER and evaluated for properties such as the energy or the impairment of the binding sites. A fusion PCR has been designed based on the linker sequences generated by MODELLER and would be tested for its activity towards insoluble chitin.

Keywords: chitin deacetylase, modeling, chitin binding domain, chitinases

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Authors: Heng Yang, Tao Luo, Yakun Zhang, Kai Wang, Wei Qin, Liang Xie, Ye Yan, Erwei Yin

Abstract:

Recent years have seen that audio-visual recognition has shown great potential in a strong noise environment. The existing method of audio-visual recognition has explored methods with ResNet and feature fusion. However, on the one hand, ResNet always occupies a large amount of memory resources, restricting the application in engineering. On the other hand, the feature merging also brings some interferences in a high noise environment. In order to solve the problems, we proposed an effective framework with bidirectional distillation. At first, in consideration of the good performance in extracting of features, we chose the light model, Efficientnet as our extractor of spatial features. Secondly, self-distillation was applied to learn more information from raw data. Finally, we proposed a bidirectional distillation in decision-level fusion. In more detail, our experimental results are based on a multi-model dataset from 24 volunteers. Eventually, the lipreading accuracy of our framework was increased by 2.3% compared with existing systems, and our framework made progress in audio-visual fusion in a high noise environment compared with the system of audio recognition without visual.

Keywords: lipreading, audio-visual, Efficientnet, distillation

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Authors: Sourabh Yaduvanshi, Varsha Namdeo, Namrata Yaduvanshi

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This study delves into the design and development intricacies of crafting detailed 2D bar charts via d3.js, recognizing its limitations in generating 3D visuals within the DOM. The study combines three.js with d3.js, facilitating a smooth evolution from 2D to immersive 3D representations. This fusion epitomizes the synergy between front-end technologies, expanding horizons in data visualization. Beyond technical expertise, it symbolizes a creative convergence, pushing boundaries in visual representation. The abstract illuminates methodologies, unraveling the intricate integration of this fusion and guiding enthusiasts. It narrates a compelling story of transcending 2D constraints, propelling data visualization into captivating three-dimensional realms, and igniting creativity in front-end visualization endeavors.

Keywords: design, development, front-end technologies, visualization

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Authors: Kumaresh Selvakumar, Man Young Kim

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In order to elaborate the main idea of investigating the flow physics inside the catalytic combustor, the characteristics of the catalytic surface reactions are analyzed by employing the CHEMKIN methodology with detailed gas and surface chemistries. The presence of a catalyst inside an engine enables complete combustion at lower temperatures which promotes desired chemical reactions. A single channel from the honeycomb monolith catalytic combustor is preferred to analyze the gas and surface reactions in the catalyst bed considering the fact that every channel in the honeycomb monolith behaves in similar fashion. The simplified approach with single catalyst channel using plug flow reactor can be used to predict the flow behavior inside the catalytic combustor. The hydrogen addition to the combustion reactants offers a way to light-off catalytic combustion of methane on platinum catalyst and aids to reduce the surface ignition temperature. Indeed, the hydrogen adsorption is higher on the uncovered Pt(s) surface sites because the sticking coefficient of hydrogen is larger than that of methane. The location of flame position in the catalyst bed is validated by igniting the methane fuel with the presence of hydrogen for corresponding multistep surface reactions.

Keywords: catalytic combustor, hydrogen adsorption, plug flow reactor, surface ignition temperature

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Authors: Muhammad Ramzan

Abstract:

A mathematical model has been envisaged to discuss three-dimensional Viscoelastic fluid flow with an effect of Cattaneo-Christov heat flux in attendance of magnetohydrodynamic (MHD). Variable thermal conductivity with the impact of homogeneous-heterogeneous reactions and convective boundary condition is also taken into account. Homotopy analysis method is engaged to obtain series solutions. Graphical illustrations depicting behaviour of sundry parameters on skin friction coefficient and all involved distributions are also given. It is observed that velocity components are decreasing functions of Viscoelastic fluid parameter. Furthermore, strength of homogeneous and heterogeneous reactions have opposite effects on concentration distribution. A comparison with a published paper has also been established and an excellent agreement is obtained; hence reliable results are being presented.

Keywords: Cattaneo Christov heat flux, homogenous-heterogeneous reactions, magnetic field, variable thermal conductivity

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Authors: Ahmad Manbohi, Seyyed Hamid Ahmadi

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A low-cost paper-based microfluidic device (PAD) for the multiplex electrochemical determination of glucose, uric acid, and dopamine in biological fluids was developed. Using wax printing, PAD containing a central zone, six channels, and six detection zones was fabricated, and the electrodes were printed on detection zones using pre-made electrodes template. For each analyte, two detection zones were used. The carbon working electrode was coated with chitosan-BSA (and enzymes for glucose and uric acid). To detect glucose and uric acid, enzymatic reactions were employed. These reactions involve enzyme-catalyzed redox reactions of the analytes and produce free electrons for electrochemical measurement. Calibration curves were linear (R^² > 0.980) in the range of 0-80 mM for glucose, 0.09–0.9 mM for dopamine, and 0–50 mM for uric acid, respectively. Blood samples were successfully analyzed by the proposed method.

Keywords: biological fluids, biomarkers, microfluidic paper-based electrochemical biosensors, Multiplex

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Authors: G. Ravi Kiran, G. Radhakrishnamacharya

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In this paper, the dispersion of a solute in the peristaltic flow of a Jeffrey fluid in the presence of both homogeneous and heterogeneous chemical reactions has been discussed. The average effective dispersion coefficient has been found using Taylor's limiting condition under long wavelength approximation. It is observed that the average dispersion coefficient increases with amplitude ratio which implies that dispersion is more in the presence of peristalsis. The average effective dispersion coefficient increases with Jeffrey parameter in the cases of both homogeneous and combined homogeneous and heterogeneous chemical reactions. Further, dispersion decreases with a phase difference, homogeneous reaction rate parameters, and heterogeneous reaction rate parameter.

Keywords: peristalsis, dispersion, chemical reaction, Jeffrey fluid, asymmetric channel

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Authors: Moulay Driss Mellaoui, Abdallah Imjjad, Rachid Boutiddar, Haydar Mohammad-Salim, Nivedita Acharjee, Hassan Bourzi, Souad El Issami, Khalid Abbiche, Hanane Zejli

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We have investigated the underlying molecular processes involved in the [3+2] cycloaddition (32CA) reactions between N-methyl-C-(2-furyl) nitrone and three acetylene derivatives: 4b, 5b, and 6b. For this investigation, we utilized molecular electron density theory (MEDT) and density functional theory (DFT) methods at the B3LYP-D3/6 31G (d) computational level. These 32CA reactions, which exhibit a zwitterionic (zw-type) nature, proceed through a one-step mechanism with activation enthalpies ranging from 8.80 to 14.37 kcal mol−1 in acetonitrile and ethanol solvents. When the nitrone reacts with phenyl methyl propiolate (4b), two regioisomeric pathways lead to the formation of two products: P1,5-4b and P1,4-4b. On the other hand, when the nitrone reacts with dimethyl acetylene dicarboxylate (5b) and acetylene dicarboxylic acid (but-2-ynedioic acid) (6b), it results in the formation of a single product. Through topological analysis, we can categorize the nitrone as a zwitterionic three-atom component (TAC). Furthermore, the analysis of conceptual density functional theory (CDFT) indices classifies the 32CA reactions of the nitrone with 4b, 5b, and 6b as forward electron density flux (FEDF) reactions. The study of bond evolution theory (BET) reveals that the formation of new C-C and C-O covalent bonds does not initiate in the transition states, as the intermediate stages of these reactions display pseudoradical centers of the atoms already involved in bonding.

Keywords: 4-isoxazoline, DFT/B3LYP-D3, regioselectivity, cycloaddition reaction, MEDT, ELF

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Authors: Longxiang Guo, Haoyan Hao, Xueli Sheng, Hanjun Yu, Jingwei Yin

Abstract:

In order to prevent target splitting and ensure the accuracy of fusion, system error registration is an important step in multi-static sonar fusion detection system. To eliminate the inherent system errors including distance error and angle error of each sonar in detection, this paper uses offline estimation method for error registration. Suppose several sonars from different platforms work together to detect a target. The target position detected by each sonar is based on each sonar’s own reference coordinate system. Based on the two-dimensional stereo projection method, this paper uses real-time quality control (RTQC) method and least squares (LS) method to estimate sensor biases. The RTQC method takes the average value of each sonar’s data as the observation value and the LS method makes the least square processing of each sonar’s data to get the observation value. In the underwater acoustic environment, matlab simulation is carried out and the simulation results show that both algorithms can estimate the distance and angle error of sonar system. The performance of the two algorithms is also compared through the root mean square error and the influence of measurement noise on registration accuracy is explored by simulation. The system error convergence of RTQC method is rapid, but the distribution of targets has a serious impact on its performance. LS method can not be affected by target distribution, but the increase of random noise will slow down the convergence rate. LS method is an improvement of RTQC method, which is widely used in two-dimensional registration. The improved method can be used for underwater multi-target detection registration.

Keywords: data fusion, multi-static sonar detection, offline estimation, sensor registration problem

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Authors: Tahreem Yousaf, Michael P. Bradley, Jerzy A. Szpunar

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Currently, nuclear fusion is considered one of the most favorable options for future energy generation, due both to its abundant fuel and lack of emissions. For fusion power reactors, a major problem will be a suitable material choice for the Plasma Facing Components (PFCs) which will constitute the reactor first wall. Tungsten (W) has advantages as a PFC material because of its high melting point, low vapour pressure, high thermal conductivity and low retention of hydrogen isotopes. However, several adverse effects such as embrittlement, melting and morphological evolution have been observed in W when it is bombarded by low-energy and high-fluence helium (He) and deuterium (D) ions, as a simulation conditions adjacent to a fusion plasma. Recently, tantalum (Ta) also investigate as PFC and show better reluctance to nanostructure fuzz as compared to W under simulated fusion plasma conditions. But retention of D ions found high in Ta than W. Preparatory to plasma-based ion implantation studies, the effect of D and He ion impact on W and Ta is predicted by using the stopping and range of ions in the matter (SRIM) code. SRIM provided some theoretical results regarding projected range, ion concentration (at. %) and displacement damage (dpa) in W and Ta. The projected range for W under Irradiation of He and D ions with an energy of 3-keV and 1×fluence is determined 75Å and 135 Å and for Ta 85Å and 155Å, respectively. For both W and Ta samples, the maximum implanted peak for helium is predicted ~ 5.3 at. % at 12 nm and for De ions concentration peak is located near 3.1 at. % at 25 nm. For the same parameters, the displacement damage for He ions is observed in W ~ 0.65 dpa and Ta ~ 0.35 dpa at 5 nm. For D ions the displacement damage for W ~ 0.20 dpa at 8 nm and Ta ~ 0.175 dpa at 7 nm. The mean implantation depth is same for W and Ta, i.e. for He ions ~ 40 nm and D ions ~ 70 nm. From these results, we conclude that retention of D is high than He ions, but damage is low for Ta as compared to W. Further investigation still in progress regarding W and T.

Keywords: helium and deuterium ion impact, plasma facing components, SRIM simulation, tungsten, tantalum

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Authors: S. K. Tiwari, Dinesh Kumar Shukla, R. Chandra

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Friction stir welding is a solid state joining process. High strength aluminum alloys are widely used in aircraft and marine industries. Generally, the mechanical properties of fusion-welded aluminum joints are poor. As friction stir welding occurs in the solid state, no solidification structures are created thereby eliminating the brittle and eutectic phases common in fusion welding of high strength aluminum alloys. In this review, the process parameters, microstructural evolution and effect of friction stir welding on the properties of weld specific to aluminum alloys have been discussed.

Keywords: aluminum alloys, friction stir welding (FSW), microstructure, Properties.

Procedia PDF Downloads 386

Authors: Patompong Satapornpong, Therdpong Tempark, Pawinee Rerknimitr, Jettanong Klaewsongkram, Chonlaphat Sukasem

Abstract:

Dapsone (4, 4’-diaminodiphenyl sulfone, DDS) is broadly used for the treatment of inflammatory diseases and infections such as; leprosy, Pneumocystis jiroveci pneumonia in patients with HIV infection, neutrophilic dermatoses, dermatitis herpetiformis and autoimmune bullous disease. The severe cutaneous adverse drug reactions (SCARs) including, Stevens-Johnson syndrome (SJS), toxic epidermal necrolysis (TEN) and drug reaction with eosinophilia and systemic symptoms (DRESS) are rare but severe life-threatening adverse drug reactions. Dapsone is one of many culprit drugs induced SJS, TEN and DRESS. Notwithstanding, to our knowledge, there are no studies of the association of HLA class I alleles and dapsone-induced SCARs in non-leprosy Thai patients. This investigation was a prospective cohort study, which performed in a total of 45 non-leprosy patients. Fifteen patients of dapsone-induced SCARs were classified as following the RegiSCAR criteria, and 30 dapsone-tolerant controls were exposed to dapsone more than 6 months without any evidence of cutaneous reactions. The genotyping of HLA-A, -B and –C were performed using sequence-specific oligonucleotides (PCR-SSOs). The Ethics Committee of Ramathibodi hospital, Mahidol University, approved this study. Among all HLA class I alleles, HLA-A*24:07, HLA-B*13:01, HLA-B*15:02, HLA-C*03:04 and HLA-C*03:09 were significantly associated with dapsone-induced SCARs (OR = 10.55, 95% CI = 1.06 – 105.04, p = 0.0360; OR = 56.00, 95% CI = 8.27 – 379.22, p = 0.0001; OR = 7.00, 95% CI = 1.17 – 42.00, p = 0.0322; OR = 6.00, 95% CI = 1.24 – 29.07, p = 0.0425 and OR = 17.08, 95% CI = 0.82 – 355.45, p = 0.0321, respectively). Furthermore, HLA-B*13:01 allele had strong association with dapsone-induced SJS-TEN and DRESS when compared with dapsone-tolerant controls (OR = 42.00, 95% CI = 2.88 – 612.31, p = 0.0064 and OR = 63.00, 95% CI = 7.72 – 513.94 and p = 0.0001, respectively). Consequently, HLA-B*13:01 might serve as a pharmacogenetic marker for screening before initiating the therapy with dapsone for prevention of dapsone-induced SCARs.

Keywords: dapsone-induced SCARs, HLA-B*13:01, HLA class I alleles, severe cutaneous adverse reactions, Thai

Procedia PDF Downloads 206

Authors: Ameur Soukaina, Zeroual Abdellah, Mazoir Noureddine

Abstract:

Molecular Electron Density Theory (MEDT) elucidates the regioselectivity of the [4+2] cycloaddition reaction between 3-aroylpyrrolo[1,2-α]quinoxaline-1,2,4(5H)-trione and butyl vinyl ether Regioselectivity and stereoselectivity. The regioselectivity mechanisms of these reactions were investigated by evaluating potential energy surfaces calculated for cycloaddition processes and DFT density-based reactivity indices. These methods have been successfully applied to predict preferred regioisomers for different method alternatives. Reactions were monitored by performing transition state optimizations, calculations of intrinsic reaction coordinates, and activation energies. The observed regioselectivity was rationalized using DFT-based reactivity descriptors such as the Parr function. Solvent effects were also investigated in 1,4-dioxane solvent using a field model for self-consistent reactions. The results were compared with experimental data to find good agreement.

Keywords: cycloaddition, DFT, ELF, MEDT, parr, stereoselectivité

Procedia PDF Downloads 81

Authors: Kumaresh Selvakumar, Man Young Kim

Abstract:

The presence of a catalyst inside an engine enables complete combustion at lower temperatures which promote desired chemical reactions. The objective of this work is to design and simulate a catalytic combustor by using CHEMKIN with detailed gas and surface chemistries. The simplified approach with single catalyst channel using plug flow reactor (PFR) can be used to predict reasonably well with the effect of various operating parameters such as the inlet temperature, velocity and fuel/air ratios. The numerical results are validated by comparing the surface chemistries in single channel catalytic combustor. The catalytic combustor operates at much lower temperature than the conventional combustor since lean-fuel mixture is used where the complete methane conversion is achieved. The coupling between gas and surface reactions in the catalyst bed is studied by investigating the commencement of flame ignition with respect to the surface site species.

Keywords: catalytic combustion, honeycomb monolith, plug flow reactor, surface reactions

Procedia PDF Downloads 204

Authors: Talat Baran

Abstract:

The Suzuki C(sp2)-C(sp2) coupling reaction is considered to be one of the best ways for the synthesis of biaryl compounds. There are many studies reporting the catalytic performance of palladium catalyst in Suzuki coupling reactions. Natural biopolymer (such as zeolite, carbon, silica, and chitosan) supporting catalysts have been lately attracted interest because of their low-cost, nontoxicity, and eco-friendliness. One of the most important natural biopolymer is cellulose, which is widely considered as an eco-friendly biopolymer due to its biodegradable, non-toxic and renewable nature. In this study, (1) cellulose supported Pd(II) catalyst was synthesized (2) its chemical structure was characterized by FT-IR, SEM/EDAX, XRD, TG-DTG, ICP-OES techniques (3) to investigate the performance of the catalyst in Suzuki coupling reactions by using microwave irradiation technique (4) reusability of the catalyst was done under optimum conditions. This cellulose supported Pd(II) catalyst exhibited high selectivity and efficiency in Suzuki coupling reactions under mild conditions (50°C). High TON and TOF values were recorded for the catalyst. Also, the reusability tests showed the catalysts could be used for several times in consequence of reusability tests.

Keywords: palladium, cellulose, Schiff base, reusability

Procedia PDF Downloads 219