Search results for: metal chelation
803 Deconvolution of Anomalous Fast Fourier Transform Patterns for Tin Sulfide
Authors: I. Shuro
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The crystal structure of Tin Sulfide prepared by certain chemical methods is investigated using High-Resolution Transmission Electron Microscopy (HRTEM), Scanning Electron Microscopy (SEM), and X-ray diffraction (XRD) methods. An anomalous HRTEM Fast Fourier Transform (FFT) exhibited a central scatter of diffraction spots, which is surrounded by secondary clusters of spots arranged in a hexagonal pattern around the central cluster was observed. FFT analysis has revealed a long lattice parameter and mostly viewed along a hexagonal axis where there many columns of atoms slightly displaced from one another. This FFT analysis has revealed that the metal sulfide has a long-range order interwoven chain of atoms in its crystal structure. The observed crystalline structure is inconsistent with commonly observed FFT patterns of chemically synthesized Tin Sulfide nanocrystals and thin films. SEM analysis showed the morphology of a myriad of multi-shaped crystals ranging from hexagonal, cubic, and spherical micro to nanostructured crystals. This study also investigates the presence of quasi-crystals as reflected by the presence of mixed local symmetries.Keywords: fast fourier transform, high resolution transmission electron microscopy, tin sulfide, crystalline structure
Procedia PDF Downloads 147802 Integration of Load Introduction Elements into Fabrics
Authors: Jan Schwennen, Harlad Schmid, Juergen Fleischer
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Lightweight design plays an important role in the automotive industry. Especially the combination of metal and CFRP shows great potential for future vehicle concepts. This requires joining technologies that are cost-efficient and appropriate for the materials involved. Previous investigations show that integrating load introduction elements during CFRP part manufacturing offers great advantages in mechanical performance. However, it is not yet clear how to integrate the elements in an automated process without harming the fiber structure. In this paper, a test rig is build up to investigate the effect of different parameters during insert integration experimentally. After a short description of the experimental equipment, preliminary tests are performed to determine a set of important process parameters. Based on that, the planning of design of experiments is given. The interpretation and evaluation of the test results show that with a minimization of the insert diameter and the peak angle less harm on the fiber structure can be achieved. Furthermore, a maximization of the die diameter above the insert shows a positive effect on the fiber structure. At the end of this paper, a theoretical description of alternative peak shaping is given and then the results get validated on the basis of an industrial reference part.Keywords: CFRP, fabrics, insert, load introduction element, integration
Procedia PDF Downloads 244801 Synthesis, Characterization and Applications of Some Selected Dye-Functionalized P and N-Type Nanoparticles in Dye Sensitized Solar Cells
Authors: Arifa Batool, Ghulam Hussain Bhatti, Syed Mujtaba Shah
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Inorganic n-type (TiO2, CdO) and p-type (NiO, CuO) metal oxide nanoparticles were synthesized by a facile wet chemical method at room temperature. The morphological, compositional, structural and optical properties were investigated by scanning electron microscopy, energy dispersive X-ray spectroscopy, FT-IR, XRD analysis, UV/Visible and fluorescence spectroscopy. All semiconducting nanoparticles were photosensitized with Ru (II) based Z907 dye in ethanol solvent by grafting. Grafting of dye on the surface of nanoparticles was confirmed by UV/Visible and FT-IR spectroscopy. The synthesized photo-active nanohybrid was thoroughly blended with P3HT, a solid electrolyte and I-V measurements under solar stimulated radiations 1000 W/m2 (AM 1.5) were recorded. Maximum incident photon to current conversion efficiency (IPCE) of 0.9% was achieved with dye functionalized Z907-TiO2 hybrid, IPCE of 0.72% was achieved with bulk-heterojunction of TiO2-Z907-CuO and IPCE of 0.68% was attained with nanocomposite of TiO2-CdO. TiO2 based Solar cells have maximum Jscvalue i.e.4.63 mA/cm2. Dye-functionalized TiO2-based photovoltaic devices were found more efficient than the reference device but the morphology of the device was a major check in progress.Keywords: solar cell, bulk heterojunction, nanocomposites, photosensitization, dye sensitized solar cell
Procedia PDF Downloads 285800 Candida antarctica Lipase-B Catalyzed Alkaline-Hydrolysis of Some Aryl-Alkyl Acetate in Non-Aqueous Media
Authors: M. Merabet-Khelassi, Z. Houiene, L. Aribi-Zouioueche, O. Riant
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Lipases (EC.3.1.1.3) are efficient biotools widely used for their remarkable chemo-, regio- and enantio-selectivity, especially, in kinetic resolution of racemates. They offer access to a large panel of enantiopure building blocks, such as secondary benzylic alcohols, commonly used as synthetic intermediates in pharmaceutical and agrochemical industries. Due to the stability of lipases in both water and organic solvents poor in water, they are able to catalyze both transesterifications of arylalkylcarbinols and hydrolysis of their corresponding acetates. The use of enzymatic hydrolysis in aqueous media still limited. In this presentation, we expose a practical methodology for the preparation of optically enriched acetates using a Candida antarctica lipase B-catalyzed hydrolysis in non-aqueous media in the presence of alkaline carbonate salts. The influence of several parameters which can intervene on the enzymatic efficiency such as the impact of the introduction of the carbonates salts, its amount and the nature of the alkaline earth metal are discussed. The obtained results show that the use of sodium carbonate with CAL-B enhances drastically both reactivity and selectivity of this immobilized lipase. In all cases, the resulting alcohols and remaining acetates are obtained in high ee values (up to > 99 %), and the selectivities reach (E > 500).Keywords: alkaline-hydrolysis, enzymatic kinetic resolution, lipases, arylalkylcarbinol, non-aqueous media
Procedia PDF Downloads 164799 Different Tools and Complex Approach for Improving Phytoremediation Technology
Authors: T. Varazi, M. Pruidze, M. Kurashvili, N. Gagelidze, M. Sutton
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The complex phytoremediation approach given in the presented work implies joint application of natural sorbents, microorganisms, natural biosurfactants and plants. The approach is based on using the natural mineral composites, microorganism strains with high detoxification abilities, plants-phytoremediators and natural biosurfactants for enhancing the uptake of intermediates of pollutants by plant roots. In this complex strategy of phytoremediation technology, the sorbent serves to uptake and trap the pollutants and thus restrain their emission in the environment. The role of microorganisms is to accomplish the first stage biodegradation of organic contaminants. This is followed by application of a phytoremediation technology through purposeful planting of selected plants. Thus, using of different tools will provide restoration of polluted environment and prevention of toxic compounds’ dissemination from hotbeds of pollution for a considerable length of time. The main idea and novelty of the carried out work is the development of a new approach for the ecological safety. The wide spectrum of contaminants: Organochlorine pesticide – DDT, heavy metal –Cu, oil hydrocarbon (hexadecane) and wax have been used in this work. The presented complex biotechnology is important from the viewpoint of prevention, providing total rehabilitation of soil. It is unique to chemical pollutants, ecologically friendly and provides the control of erosion of soils.Keywords: bioremediation, phytoremediation, pollutants, soil contamination
Procedia PDF Downloads 300798 Influence of Heat Treatment of 7Cr-0.93Mo-2.27W Steel on Mechanical Properties
Authors: Saeed Ghali
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Designed martensitic stainless steel was produced in a 30 kg induction furnace. The molten metal was cast into a refractory sand mold at 1600 °C. The produced ingots were recharged into the reheating furnace. Martensitic stainless steel was held for 1 hour at a temperature of 1150°C. The forging process starts and finishes at 1150 °C and 900 °C, respectively. A chemical analysis was carried out. Microstructure was studied. Heat treatment for martensitic stainless steel was carried out at 300 oC, 400 oC, 500 oC, 600 oC and 700 oC for 5 min, 20 min, 45 min, 120 min and 240 min. Hardness was measured after each heat treatment. The contribution influence of each time and temperature on hardness was investigated using factorial design for tempering temperature range (500 oC – 700 oC) for time up to 240 min. It was found that the microstructure is mainly a martensitic phase, and it conforms to the Schaeffler diagram. The results showed that time, temperature and their interaction combination have a negative effect on hardness in the temperature range ( 500 oC – 700 oC) with time range (5 min – 240 min). The model was built up in the form of coded variables and in actual variables. The predicted values – from coded and actual variables - of hardness are compatible with the experimental values. Factorial design is a useful technique to predict the effect and contribution effect of both time and temperature on the hardness of 7Cr-0.93Mo-2.27W martensitic stainless steel.Keywords: steel, factorial design, hardness, heat treatment, temperature
Procedia PDF Downloads 10797 Optimization of Pressure in Deep Drawing Process
Authors: Ajay Kumar Choubey, Geeta Agnihotri, C. Sasikumar, Rashmi Dwivedi
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Deep-drawing operations are performed widely in industrial applications. It is very important for efficiency to achieve parts with no or minimum defects. Deep drawn parts are used in high performance, high strength and high reliability applications where tension, stress, load and human safety are critical considerations. Wrinkling is a kind of defect caused by stresses in the flange part of the blank during metal forming operations. To avoid wrinkling appropriate blank-holder pressure/force or drawbead can be applied. Now-a-day computer simulation plays a vital role in the field of manufacturing process. So computer simulation of manufacturing has much advantage over previous conventional process i.e. mass production, good quality of product, fast working etc. In this study, a two dimensional elasto-plastic Finite Element (F.E.) model for Mild Steel material blank has been developed to study the behavior of the flange wrinkling and deep drawing parameters under different Blank-Holder Pressure (B.H.P.). For this, commercially available Finite Element software ANSYS 14 has been used in this study. Simulation results are critically studied and salient conclusions have been drawn.Keywords: ANSYS, deep drawing, BHP, finite element simulation, wrinkling
Procedia PDF Downloads 451796 Functionalized Mesoporous Silica: Absorbents for Water Purification
Authors: Saima Nasreen, Uzaira Rafique, Shery Ehrman, Muhammad Aqeel Ashraf
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The release of heavy metals into the environment is a potential threat to water and soil quality as well as to plant, animal and human health. In current research work, organically functionalized mesoporous silicates (MSU-H) were prepared by the co-condensation between sodium silicate and oregano alkoxysilanes in the presence of the nonionic surfactant triblock copolymer P104. The surfactant was used as a template for improving the porosity of the hybrid gels. Synthesized materials were characterized by TEM, FT-IR, SEM/EDX, TG, surface area analysis. The surface morphology and textural properties of such materials varied with various kinds of groups in the channels. In this study, removal of some heavy metals ions from aqueous solution by adsorption process was investigated. Batch adsorption studies show that the adsorption capacity of metal ions on the functionalized silicates is more than that on pure MSU-H. Data shows adsorption on synthesized materials is a time efficient process, suggesting adsorption on external surface as well as the mesoporous process. Adsorption models of Langmuir, Freundlich, and Temkin depicted equal goodness for all adsorbents, whereas pseudo 2nd order kinetics is in best agreement with experimental data.Keywords: heavy metals, mesoporous silica, hybrid, adsorption, freundlich, langmuir, temkin
Procedia PDF Downloads 271795 Nagabhasma Preparation and Its Effect on Kidneys: A Histopathological Study
Authors: Lydia Andrade, Kumar M. R. Bhat
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Heavy metals, especially lead, is considered to be a multi-organ toxicant. However, such heavy metals, are used in the preparation of traditional medicines. Nagabhasma is one of the traditional medicines. Lead is the metal used in its preparation. Lead is converted into a health beneficial, organometallic compound, when subjected to various traditional methods of purification. Therefore, this study is designed to evaluate the effect of such processed lead in various stages of traditionally prepared Nagabhasma on the histological structure of kidneys. Using the human equivalent doses of Nagabhasma, various stages of its preparation were fed orally for 30 days and 60 days (short term and long term). The treated and untreated rats were then sacrificed for the collection of kidneys. The kidneys were processed for histopathological study. The results show severe changes in the histological structure of kidneys. The animals treated with lead acetate showed changes in the epithelial cells lining the bowman’s capsule. The proximal and distal convoluted tubules were dilated leading to atrophy of their epithelial cells. The amount of inflammatory infiltrates was more in this group. A few groups also showed pockets of inter-tubular hemorrhage. These changes, however, were minimized as the stages progressed form stages 1 to 4 of Nagabhasma preparation. Therefore, it is necessary to stringently monitor the processing of lead acetate during the preparation of Nagabhasma.Keywords: heavy metals, kidneys, lead acetate, Nagabhasma
Procedia PDF Downloads 149794 Reducing Greenhouse Gass Emissions by Recyclable Material Bank Project of Universities in Central Region of Thailand
Authors: Ronbanchob Apiratikul
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This research studied recycled waste by the Recyclable Material Bank Project of 4 universities in the central region of Thailand for the evaluation of reducing greenhouse gas emissions compared with landfilling activity during July 2012 to June 2013. The results showed that the projects collected total amount of recyclable wastes of about 911,984.80 kilograms. Office paper had the largest amount among these recycled wastes (50.68% of total recycled waste). Groups of recycled waste can be prioritized from high to low according to their amount as paper, plastic, glass, mixed recyclables, and metal, respectively. The project reduced greenhouse gas emissions equivalent to about 2814.969 metric tons of carbon dioxide. The most significant recycled waste that affects the reduction of greenhouse gas emissions is office paper which is 70.16% of total reduced greenhouse gasses emission. According to amount of reduced greenhouse gasses emission, groups of recycled waste can be prioritized from high to low significances as paper, plastic, metals, mixed recyclables, and glass, respectively.Keywords: recycling, garbage bank, waste management, recyclable wastes, greenhouse gases
Procedia PDF Downloads 428793 Single Cu‒N₄ Sites Enable Atomic Fe Clusters with High-Performance Oxygen Reduction Reaction
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Atomically dispersed Fe‒N₄ catalysts are proven as promising alternatives to commercial Pt/C for the oxygen reduction reaction. Most reported Fe‒N₄ catalysts suffer from inferior O‒O bond-breaking capability due to superoxo-like O₂ adsorption, though the isolated dual-atomic metal sites strategy is extensively adopted. Atomic Fe clusters hold greater promise for promoting O‒O bond cleavage by forming peroxo-like O₂ adsorption. However, the excessively strong binding strength between Fe clusters and oxygenated intermediates sacrifices the activity. Here, we first report a Fex/Cu‒N@CF catalyst with atomic Fe clusters functionalized by adjacent single Cu‒N₄ sites anchoring on a porous carbon nanofiber membrane. The theoretical calculation indicates that the single Cu‒N₄ sites can modulate the electronic configuration of Fe clusters to reduce O₂* protonation reaction free energy, which ultimately enhances the electrocatalytic performance. Particularly, the Cu‒N₄ sites can increase the overlaps between the d orbitals of Fe and p orbitals of O to accelerate O‒O cleavage in OOH*. As a result, this unique atomic catalyst exhibits a half potential (E1/2) of 0.944 V in an alkaline medium exceeding that of commercial Pt/C, whereas acidic performance E1/2 = 0.815 V is comparable to Pt/C. This work shows the great potential of single atoms for improvements in atomic cluster catalysts.Keywords: Hierarchical porous fibers, atomic Fe clusters, Cu single atoms, oxygen reduction reaction; O-O bond cleavage
Procedia PDF Downloads 119792 Fabrication of Powdery Composites Based Alumina and Its Consolidation by Hot Pressing Method in OXY-GON Furnace
Authors: T. Kuchukhidze, N. Jalagonia, T. Korkia, V. Gabunia, N. Jalabadze, R. Chedia
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In this work, obtaining methods of ultrafine alumina powdery composites and high temperature pressing technology of matrix ceramic composites with different compositions have been discussed. Alumina was obtained by solution combustion synthesis and sol-gel methods. Metal carbides containing powdery composites were obtained by homogenization of finishing powders in nanomills, as well as by their single-step high temperature synthesis .Different types of matrix ceramics composites (α-Al2O3-ZrO2-Y2O3, α-Al2O3- Y2O3-MgO, α-Al2O3-SiC-Y2O3, α-Al2O3-WC-Co-Y2O3, α-Al2O3- B4C-Y2O3, α-Al2O3- B4C-TiB2 etc.) were obtained by using OXYGON furnace. Consolidation of powders were carried out at 1550- 1750°C (hold time - 1 h, pressure - 50 MPa). Corundum ceramics samples have been obtained and characterized by high hardness and fracture toughness, absence of open porosity, high corrosion resistance. Their density reaches 99.5-99.6% TD. During the work, the following devices have been used: High temperature vacuum furnace OXY-GON Industries Inc (USA), Electronic Scanning Microscopes Nikon Eclipse LV 150, Optical Microscope NMM- 800TRF, Planetary mill Pulverisette 7 premium line, Shimadzu Dynamic Ultra Micro Hardness Tester DUH-211S, Analysette 12 Dynasizer.Keywords: α-alumina, consolidation, phase transformation, powdery composites
Procedia PDF Downloads 351791 Surface Sediment Quality Assessment in a Coastal Lagoon (NW Adriatic Sea) Based on SEM-AVS Analysis
Authors: Roberta Guerra, Juan Pablo Pozo Hernandez
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Surface sediments from the coastal lagoon of Pialassa Piomboni in the NW Adriatic Sea were collected and analysed and the potential ecological risks in the area were assessed based on the acid-volatile sulphide (AVS) model. The AVS levels are between 0.03 and 8.8 µmol g-1, with the average at 3.1 µmol g-1. The simultaneously extracted metals (∑SEM), which is the molar sum of Cd, Cu, Ni, Pb, and Zn, range from 0.3 to 6.6 µmol g-1, with the average at 1.7 µmol g-1. Most of the high ∑SEM concentrations are located in the southern area of the lagoon. [SEM]Zn had the comparatively high mean concentration (1.4 µmol g-1), and a maximum value of 6.1 µmol g-1, respectively. Concentrations of [SEM]Cd, [SEM]Cu, [SEM]Ni, and [SEM]Pb were consistently lower, with maximum values of 0.007 µmol g-1, 1.4 µmol g-1, 0.3 µmol g-1 and 0.2 µmol g-1, respectively. Compared to other metals, [SEM]Zn was the dominant component in all samples and accounted for approximately 31 - 93% of the ∑SEM, whereas the contribution of Cd – the most toxic metal studied – to ∑SEM was no more than 1%. According to the USEPA evaluation method, the sediment samples can be divided into the three following categories: category 1, adverse biological effects on aquatic life may be expected when ([SEM]–[AVS])/fOC > 3000; category 2, adverse effects on aquatic life are uncertain when ([SEM]–[AVS])/fOC = 130 to 3,000; and category 3, no indication of adverse effects when ([SEM]–[AVS])/fOC < 130. Most of the surface sediments of the Pialassa Piomboni lagoon (>90%) had no adverse biological effects according to the criterion proposed by the USEPA; while adverse effects were uncertain in few stations (~2%).Keywords: sediment quality, heavy metals, coastal lagoon, bioavailability, SEM, AVS
Procedia PDF Downloads 407790 Study of the Microstructure and Mechanical Properties of Locally Developed Carbon Fibers-Silica Sand Nanoparticles Aluminium Based Hybrid Composites
Authors: Tahir Ahmad, M. Kamran, R. Ahmad, M. T. Z. Butt
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Hybrid aluminum metal matrix composites with 1, 2, 3 and 4 wt. % of silica sand nanoparticles and electro-less nickel coated carbon fibers were successfully developed using sand casting technique. Epoxy coating of carbon fibers was removed and phosphorous-nickel coating was successfully applied via electro-less route. The developed hybrid composites were characterized using micro hardness tester, tensile testing, and optical microscopy. The gradual increase of reinforcing phases yielded improved mechanical properties such as hardness and tensile strength. The increase in hardness was attributed to the presence of silica sand nanoparticles whereas electro-less nickel coated carbon fibers enhanced the tensile properties of developed hybrid composites. The microstructure of the developed hybrid composites revealed the homogeneous distribution of both carbon fibers and silica sand nanoparticles in aluminum based hybrid composites. The formation of dendrite microstructure is the main cause of improving mechanical properties.Keywords: aluminum based hybrid composites, mechanical properties, microstructure, microstructure and mechanical properties relationship
Procedia PDF Downloads 415789 The Effect of Austempering Temperature on Anisotropy of TRIP Steel
Authors: Abdolreza Heidari Noosh Abad, Amir Abedi, Davood Mirahmadi khaki
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The high strength and flexibility of TRIP steels are the major reasons for them being widely used in the automobile industry. Deep drawing is regarded as a common metal sheet manufacturing process is used extensively in the modern industry, particularly automobile industry. To investigate the potential of deep drawing characteristic of materials, steel sheet anisotropy is studied and expressed as R-Value. The TRIP steels have a multi-phase microstructure consisting typically of ferrite, bainite and retained austenite. The retained austenite appears to be the most effective phase in the microstructure of the TRIP steels. In the present research, Taguchi method has been employed to study investigates the effect of austempering temperature parameters on the anisotropy property of the TRIP steel. To achieve this purpose, a steel with chemical composition of 0.196C -1.42Si-1.41Mn, has been used and annealed at 810oC, and then austempered at 340-460oC for 3, 6, and 9 minutes. The results shows that the austempering temperature has a direct relationship with R-value, respectively. With increasing austempering temperature, residual austenite grain size increases as well as increased solubility, which increases the amount of R-value. According to the results of the Taguchi method, austempering temperature’s p-value less than 0.05 is due to effective on R-value.Keywords: Taguchi method, hot rolling, thermomechanical process, anisotropy, R-value
Procedia PDF Downloads 329788 Structural Alteration of MoS₂ by Incorporating Fe, Co Composite for an Enhanced Oxygen Evolution Reaction
Authors: Krishnamoorthy Sathiyan, Shanti Gopal Patra, Ronen Bar-Ziv, Tomer Zidki
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Developing efficient non-noble metal catalysts that are cheap and durable for oxygen evolution reaction (OER) is a great challenge. Moreover, altering the electronic structure of the catalyst and structural engineering of the materials provide a new direction for enhancing the OER. Herein, we have successfully synthesized Fe and Co incorporated MoS₂ catalysts, which show improved catalytic activity for OER when compared with MoS₂, Fe-MoS₂, and Co-MoS₂. It was found that at an optimal ratio of Fe and Co, the electronic and structural modification of MoS₂ occurs, which leads to change in orientation and thereby enhances the active catalytic sites on the edges, which are more exposed for OER. The nanocomposites have been well characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), and energy dispersive X-ray analysis (EDX), Elemental Mapping, transmission electron microscope (TEM), and high-resolution transmission electron microscope (HR-TEM) analysis. Among all, a particular ratio of FeCo-MoS₂ exhibits a much smaller onset with better catalytic current density. The remarkable catalytic activity is mainly attributed to the synergistic effect from the Fe and Co. Most importantly, our work provides an essential insight in altering the electronic structure of MoS₂ based materials by incorporating promoters such as Co and Fe in an optimal amount, which enhances OER activity.Keywords: electrocatalysts, molybdenum disulfide, oxygen evolution reaction, transition metals
Procedia PDF Downloads 134787 Surface Enhanced Raman Substrate Detection on the Structure of γ-Aminobutyric Acid(GABA) Connected with Modified Gold-Chitosan Nanoparticles by Mercaptopropionic Acid (MPA)
Authors: Bingjie Wang, Su-Yeon Kwon, Ik-Joong Kang
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A Surface-enhanced Raman Scattering (SERS) as the principle for enhancing Raman scattering by molecules adsorbed on rough metal surfaces or by nanostructures is used to detect the concentration change of γ-Aminobutyric Acid (GABA). As for the gold-chitosan nanoshell, it is made by using chitosan nanoparticles crosslinking with sodium tripolyphosphate(TPP) for the first step to form the chitosan nanoparticles, which would be covered with the gold sequentially. The size of the fabricated product was around 100nm. Based on the method that the sulfur end of the MPA linked to gold can form the very strong S–Au bond, and the carboxyl group, the other end of the MPA, can easily absorb the GABA. GABA is the mainly inhibitory neurotransmitter in the mammalian central nervous system in the human body. It plays such significant role in reducing neuronal excitability throughout the nervous system. When the system formed, it generated SERS, which made a clear difference in the intensity of Raman scattering within the range of GABA concentration. So it is obtained from the experiment that the calibration curve according to the GABA concentration relevant with the SERS scattering. In this study, DLS, SEM, FT-IR, UV, SERS were used to analyze the products to obtain the conclusion.Keywords: chitosan-gold nanoshell, mercaptopropionic acid, γ-aminobutyric acid, surface-enhanced Raman scattering
Procedia PDF Downloads 265786 Combination Rule for Homonuclear Dipole Dispersion Coefficients
Authors: Giorgio Visentin, Inna S. Kalinina, Alexei A. Buchachenko
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In the ambit of intermolecular interactions, a combination rule is defined as a relation linking a potential parameter for the interaction of two unlike species with the same parameters for interaction pairs of like species. Some of their most exemplificative applications cover the construction of molecular dynamics force fields and dispersion-corrected density functionals. Here, an extended combination rule is proposed, relating the dipole-dipole dispersion coefficients for the interaction of like target species to the same coefficients for the interaction of the target and a set of partner species. The rule can be devised in two different ways, either by uniform discretization of the Casimir-Polder integral on a Gauss-Legendre quadrature or by relating the dynamic polarizabilities of the target and the partner species. Both methods return the same system of linear equations, which requires the knowledge of the dispersion coefficients for interaction between the partner species to be solved. The test examples show a high accuracy for dispersion coefficients (better than 1% in the pristine test for the interaction of Yb atom with rare gases and alkaline-earth metal atoms). In contrast, the rule does not ensure correct monotonic behavior of the dynamic polarizability of the target species. Acknowledgment: The work is supported by Russian Science Foundation grant # 17-13-01466.Keywords: combination rule, dipole-dipole dispersion coefficient, Casimir-Polder integral, Gauss-Legendre quadrature
Procedia PDF Downloads 182785 Evaluation of the Effect Rare Earth Metal on the Microstructure and Properties of Zn-ZnO-Y2O3 Coating of Mild Steel
Authors: A. P. I. Popoola, O. S. I. Fayomi, V. S. Aigbodion
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Mild steel has found many engineering applications due to its great formability, availability, low cost and good mechanical properties among others. However its functionality and durability is subject of concern due to corrosion deterioration. Based on these Yttrium is selected as reinforcing particles using electroplating process in this work to enhance the corrosion resistance. Bath formulation of zinc-yttrium was prepared at moderated temperature and pH, to coat mild steel sample. Corrosion and wear behaviour were analyzed using electrochemical potentiostat and abrasive test rig. The composition and microstructure of coated films were investigated standard method. The microstructure of the deposited plate obtained from optimum (10%Yttrium) bath revealed fine-grained deposit of the alloy in the presence of condensation product and hence modified the morphology of zinc–yttrium alloy deposit. It is demonstrated that by adding yttria particles, mild steel can be strengthened with improved polarization behaviour and higher resistance to corrosive in sodium chloride solutions. Microhardness of the coating compared to plain mild steel have increased before and after heat treatment, and an increased wear resistance was also obtained from the modified coating of zinc-yttrium.Keywords: microhardness, zinc-yttrium, coating, mild steel, microstructure, wear, corrosion
Procedia PDF Downloads 290784 Introducing α-Oxoester (COBz) as a Protecting Group for Carbohydrates
Authors: Atul Kumar, Veeranjaneyulu Gannedi, Qazi Naveed Ahmed
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Oligosaccharides, which are essential to all cellular organisms, play vital roles in cell recognition, signaling, and are involved in a broad range of biological processes. The chemical synthesis of carbohydrates represents a powerful tool to provide homogeneous glycans. In carbohydrate synthesis, the major concern is the orthogonal protection of hydroxyl groups that can be unmasked independently. Classical protecting groups include benzyl ethers (Bn), which are normally cleaved through hydrogenolysis or by means of metal reduction, and acetate (Ac), benzoate (Bz) or pivaloate esters, which are removed using base promoted hydrolysis. In present work a series of α-Oxoester (COBz) protected saccharides, with divergent base sensitivity profiles against benzoyl (Bz) and acetyl (Ac), were designed and KHSO₅/CH₃COCl in methanol was identified as an easy, mild, selective and efficient deprotecting reagent for their removal in the perspective of carbohydrate synthesis. Timely monitoring of later reagent was advantageous in establishing both sequential as well as simultaneous deprotecting of COBz, Bz, and Ac. The salient feature of our work is its ease to generate different acceptors using designed monosaccharides. In summary, we demonstrated α-Oxoester (COBz) as a new protecting group for carbohydrates and the application of this group for the synthesis of Glycosylphosphatidylinositol (GPI) anchor are in progress.Keywords: α-Oxoester, oligosaccharides, new protecting group, acceptor synthesis, glycosylation
Procedia PDF Downloads 151783 Preparation, Structure, and Properties of Hydroxyl Containing Acrylate Monomer Grafted Silk Fabrics by HRP-Catalyzed ATRP Method
Authors: Tieling Xing, Jinqiu Yang, Guoqiang Chen
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It is environmentally friendly to use horseradish peroxidase (HRP) instead of the traditional transition metal catalyst for the catalyst of atom transfer radical polymerization (ATRP). Silk fabrics were successfully grafted with hydroxyl-containing acrylate monomer to improve its crease resistance by HRP-catalyzed ATRP method. Taking grafting yield as the evaluation index, single factor tests revealed that the optimum grafting reaction condition was as follow: monomer mass fraction 120-210%(o.w.f), HRP concentration 360-480U/mL, molar ratio of HRP to NaAsc 1:150, reaction temperature 50-60℃, reaction time 24h. Raman spectra showed hydroxyl-containing acrylate monomer were successfully grafted on silk fabrics. SEM figures indicated the surface of grafted silk became rougher, and graft copolymer was distributed evenly on the surface of silk fiber. The crease-resistant recovery property of grafted silk fabric was greatly improved, especially in wet crease recovery angle. The result showed hydroxyl-containing acrylate monomer can be successfully grafted onto silk fabric based on HRP-catalyzed ATRP method.Keywords: atom transfer radical polymerization, catalysis, horseradish peroxidase, hydroxyl-containing acrylate monomer
Procedia PDF Downloads 154782 Atomic Layer Deposition of MoO₃ on Mesoporous γ-Al₂O₃ Prepared by Sol-Gel Method as Efficient Catalyst for Oxidative Desulfurization of Refractory Dibenzothiophene Compound
Authors: S. Said, Asmaa A. Abdulrahman
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MoOₓ/Al₂O₃ based catalyst has long been widely used as an active catalyst in oxidative desulfurization reaction due to its high stability under severe reaction conditions and high resistance to sulfur poisoning. In this context, 4 & 9wt.% MoO₃ grafted on mesoporous γ-Al₂O₃ has been synthesized using the modified atomic layer deposition (ALD) method. Another MoO₃/Al₂O₃ sample was prepared by the conventional wetness impregnation (IM) method, for comparison. The effect of the preparation methods on the metal-support interaction was evaluated using different characterization techniques, including X-ray diffraction, X-ray photoelectron spectroscopy (XPS), N₂-physisorption, transmission electron microscopy (TEM), H₂- temperature-programmed reduction and FT-IR. Oxidative desulfurization (ODS) reaction of the model fuel oil was used as a probe reaction to examine the catalytic efficiency of the prepared catalysts. ALD method led to samples with much better physicochemical properties than those of the prepared one via the impregnation method. However, the 9 wt.%MoO₃/Al₂O₃ (ALD) catalyst in the ODS reaction of model fuel oil shows enhanced catalytic performance with ~90%, which has been attributed to the more Mo⁶⁺ surface concentrations relative to Al³⁺ with large pore diameter and surface area. The kinetic study shows that the ODS of DBT follows a pseudo first-order rate reaction.Keywords: mesoporous Al₂O₃, xMoO₃/Al₂O₃, atomic layer deposition, wetness impregnation, ODS, DBT
Procedia PDF Downloads 107781 Valonea Tannin Supported AgCl/ZnO/Fe3O4 Nanocomposite, a Magnetically Separable Photocatalyst with Enhanced Photocatalytic Performance under Visible Light Irradiation
Authors: Nuray Güy, Mahmut Özacar
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In the past few decades, considerable attention has been devoted to the photocatalysts for the photocatalytic degradation of environmental pollutants. Many novel nanostructured photocatalysts for wastewater treatment have been investigated, such as TiO2 and, CdS, ZnO and silver halides (AgX, X = Cl, Br, I). The silver halides are photosensitive materials which can absorb photons in the visible region to produce electron–hole pairs. Silver halides are expensive that restricts their applications in large-scale photocatalytic processes. Tannin contains hydroxyl functional groups, it was employed as a modifier to improve the surface properties and adsorption capacity of the activated carbon towards the metal cations uptake. In this work, we designed a new structure of magnetically separable photocatalyst that combines AgCl/ZnO nanoparticles with Fe3O4 nanoparticles deposited on tannin, which was denoted as (AgI/ZnO)-Fe3O4/Tannin. The as-prepared products are characterized by X-ray diffraction (XRD), field emission scanning electron microscope (FESEM), Fourier transform infrared (FTIR), diffuse reflectance spectra (DRS) and vibrating sample magnetometer (VSM). The photocatalyst exhibited high activity degrading a textile dye under visible light irradiation. Moreover, the excellent magnetic property gives a more convenient way to recycle the photocatalysts.Keywords: AgI/ZnO-Fe3O4/Tannin, visible light, magnetically separable, photocatalyst
Procedia PDF Downloads 219780 Evaluation of High Temperature Wear Performance of as Cladded and Tig Re-Melting Stellite 6 Cladded Overlay on Aisi-304L Using SMAW Process
Authors: Manjit Singha, Sandeep Singh Sandhu, A. S. Shahi
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Stellite 6 is cobalt based superalloy used for protective coatings. It is used to improve the wear performance of stainless steel engineering components subjected to harsh environmental conditions. This paper reports the high temperature wear analysis of satellite 6 cladded on AISI 304 L substrate using SMAW process. Bead on plate experiment was carried out by varying current and electrode manipulation techniques to optimize the dilution and hardness. 80 Amp current and weaving technique was found to be the optimum set of parameters for overlaying which were further used for multipass multilayer cladding on two plates of AISI 304 L substrate. On the first plate, seven layers seven passes of stellite 6 was overlaid which was used in as cladded form and the second plate was overlaid with five layers five passes of satellite 6 with further TIG remelting. The wear performance was examined for normal temperature environmental condition and harsh temperature environmental condition. The satellite 6 coating with TIG remelting was found to be better in both the conditions even with lesser metal deposition due to its finer grain structure.Keywords: surfacing, stellite 6, dilution, overlay, SMAW, high-temperature frictional wear, micro-structure, micro-hardness
Procedia PDF Downloads 295779 Systematic Study of Mutually Inclusive Influence of Temperature and Substitution on the Coordination Geometry of Co(II) in a Series of Coordination Polymer and Their Properties
Authors: Manasi Roy, Raju Mondal
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During last two decades the synthesis and design of MOFs or novel coordination polymers (CPs) has flourished as an emerging area of research due to their role as functional materials. Accordingly, ten new cobalt-based MOFs have been synthesized using a simple bispyrazole ligand, 4,4′-methylene-bispyrazole (H2MBP), and isophthalic acid (H2IPA) and its four 5-substituted derivatives R-H2IPA (R = COOH, OH, tBu, NH2). The major aim of this study was to validate the mutual influence of temperature and substitutions on the final structural self-assembly. Five different isophthalic acid derivatives were used to study the influence of substituents while each reaction was carried out at two different temperatures to assess the temperature effect. A clear correlation was observed between the reaction temperature and the coordination number of the cobalt atoms which consequently changes the self assembly pattern. Another fact that the periodical change in coordination number did bring about some systematic changes in the structural network via secondary building unit selectivity. With the presence of a tunable cavity inside the network, and unsaturated metal centers, MOFs show highly encouraging photocatalytic degradation of toxic dye with a potential application in waste water purification. Another fascinating aspect of this work is the construction of magnetic coordination polymers with the occurrence of a not-so-common MCE behavior of cobalt-based MOF.Keywords: MOFs, temperature effect, MCE, dye degradation
Procedia PDF Downloads 138778 Microstructural and Corrosion Analysis of a Ti-Nb-Ta Biocompatible Dental Implant Alloy
Authors: Roxana Maria Angelescu, Doina Răducanu, Mariana Lucia Angelescu, Ion Cincă, Vasile Dănuţ Cojocaru, Cosmin Cotruț, Şerban Nicolae
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Titanium alloys are often used for biomedical applications as hard tissue replacements, such as: orthopedic implants, spinal fixation devices and dental implants. Their advantages are well known and demonstrated: excellent mechanical properties, biocompatibility and good corrosion resistance, but it is also known that the main disadvantage of the metallic materials is their tendency of corrosion in in-vivo environments. In 1987, titanium was found to be the only metallic biomaterial that osseointegrates. The aim of this study was to investigate the microstructure and the corrosion behavior of the Ti-20Nb-5Ta wt% alloy. In this case Nb stabilizes the β-Ti structure and Ta is a highly passivating metal. The as studied alloy was melt under argon protective atmosphere in a levitation induction melting furnace, type FIVE CELES - MP25, with a nominal power of 25 kW and a melting capacity of 30 cm3. The microstructure of the as studied alloy was analyzed by using the electronic microscope Tescan Vega II-XMU. The phase structure of the as studied alloy was determined, as well as the crystalline grain size (100-200µ). To determine the corrosion behavior of the as studied alloy, the technique used was the linear polarization, with the PARSTAT 4000 potentiostat, produced by Princeton Applied Research; potentiodynamic curves were obtained with the VeraStudio v.2.4.2 software.Keywords: corrosion resistance, microstructure, titanium alloys
Procedia PDF Downloads 544777 Theoretical and Experimental Investigation of the Interaction Behavior of a Bouncing Ball upon a Flexible Surface Impacted in Two Dimensions
Authors: Wiwat Chumai, Perawit Boonsomchua, Kanjana Ongkasin
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The ball bouncing problem is a well-known problem in physics involving a ball dropped from a height to the ground. In this paper, the work investigates the theoretical and experimental setup that describes the dynamics of a rigid body on a chaotic elastic surface under air-damp conditions. Examination of four different types of balls is made, including marble, metal ball, tennis ball, and ping-pong ball. In this experiment, the effect of impact velocities is not considered; the ball is dropped from a fixed height. The method in this work employs the Rayleigh Dissipation Function to specify the effects of dissipative forces in Lagrangian mechanics. Our discoveries reveal that the dynamics of the ball exhibit horizontal motion while damping oscillation occurs, forming the destabilization in vertical pinch-off motion. Moreover, rotational motion is studied. According to the investigation of four different balls, the outcomes illustrate that greater mass results in more frequent dynamics, and the experimental results at some points align with the theoretical model. This knowledge contributes to our understanding of the complex fluid system and could serve as a foundation for further developments in water droplet simulation.Keywords: droplet, damping oscillation, nonlinear damping oscillation, bouncing ball problem, elastic surface
Procedia PDF Downloads 106776 Nanosilver Loaded Biomaterial for Wound Healing Applications: In Vitro Studies
Authors: Sathish Sundar Dhilip Kumar, Nicolette Houreld, Heidi Abrahamse
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Silver nanoparticles (AgNPs) are classified as metal-based nanomaterials and have received considerable attention globally for wound healing and tissue engineering applications. Naturally available materials are a significant source of medicinal products to treat numerous diseases; polysaccharides are among them. Polysaccharides are non-toxic, safe, and inexpensive, and it has good biocompatibility and biodegradability. Most polysaccharides are shown to have a positive effect on wound healing processes, including chitosan and gum tragacanth. The present study evaluated the improvement of cellular wound healing by nanosilver-loaded polysaccharide-based biomaterial (CGT-NS) in WS1 cells. The physicochemical properties of prepared CGT-NS were studied using different characterization techniques, and it exhibited better stability and swelling properties in various pH conditions. Surface morphology was studied using scanning electron microscopy, and it revealed the porous morphology of the synthesized CGT-NS. The synthesized biomaterial displayed acceptable antibacterial properties against Gram-positive and Gram-negative bacterial strains, and it may prevent infection. The biocompatibility of the synthesized CGT-NS biomaterial was studied in WS1 cells, where it may lead to promote increased cell adhesion and proliferation properties. Thus, the CGT-NS biomaterial has good potential as a biomaterial in wound healing applications.Keywords: biomaterial, wound healing, nano, silver nanoparticles
Procedia PDF Downloads 186775 Efficiency of Visible Light Induced Photocatalytic Oxidation of Toluene and Benzene by a Photocatalytic Textile
Authors: Z. Younsi, L. Koufi, H. Gidik, D. Lahem, W. Wim Thielemans
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This study investigated the efficiency of photocatalytic textile to remove the Volatile Organic Compounds (VOCs) present in indoor air. Functionalization of the fabric was achieved by adding a photocatalyst material active in the visible spectrum of light. This is a modified titanium dioxide photocatalyst doped with non-metal ions synthesized via sol-gel process, which should allow the degradation of the pollutants – ideally into H₂O and CO₂ – using photocatalysis based on visible light and no additionnal external energy source. The visible light photocatalytic activity of textile sample was evaluated for toluene and benzene gaseous removal, under the visible irradiation, in a test chamber with the total volume of 1m³. The suggested approach involves experimental investigations of the global behavior of the photocatalytic textile. The experimental apparatus permits simultaneous measurements of the degradation of pollutants and presence of eventually formed by-products. It also allows imposing and measuring concentration variations with respect to selected time scales in the test chamber. The observed results showed that the amount of TiO₂ incorporation improved the photocatalytic efficiency of functionalized textile significantly under visible light. The results obtained with such textile are very promising.Keywords: benzene, C₆H₆, efficiency, photocatalytic degradation, textile fabrics, titanium dioxide, TiO₂, toluene, C₇H₈, visible light
Procedia PDF Downloads 176774 Exploring Photoreactive Coordination Compounds: The Role of Re Complexes in Ibuprofen Photosensitized Decomposition
Authors: Emilia R. Serrano, Pedro M. David Gara, Gustavo T. Ruiz
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Water pollution is an urgent global issue, impacting not only the availability and quality of water for consumption but also the health and lifestyle of populations worldwide. One growing concern is the presence of pharmaceuticals in natural waters, which pose significant risks to both the environment and public health. These substances, even in trace amounts, can cause physiological effects that are often undetected due to insufficient monitoring. Among the many compounds of concern are caffeine, paracetamol, ibuprofen, and enrofloxacin, all of which have been detected in rivers across Argentina. These substances are part of a broader class of emerging pollutants (EPs), which also include chemicals from household and personal care products. The environmental dangers posed by EPs are substantial, particularly their effects on the biotic components of aquatic ecosystems. Bioaccumulation of these pollutants has been observed in various aquatic organisms, raising concerns about long-term ecological impacts. Additionally, continuous exposure to EPs has been linked to a range of harmful effects, including cytotoxicity, genotoxicity, apoptosis, and functional impairments in living organisms. More alarmingly, the prevalence of antibiotics in the environment contributes to the growing issue of antibiotic resistance, creating a significant global health crisis. Unfortunately, these pollutants often go unnoticed during routine water quality assessments, which underscores the need for innovative approaches to mitigate their impact. One promising solution lies in the use of transition metal coordination compounds as photosensitizers, which can help degrade EPs through photocatalytic processes. Transition metals like rhenium (Re) form stable complexes with organic ligands, and these Re(I) complexes (ReC) exhibit tunable photophysical and photochemical properties based on metal-ligand combinations. By focusing on bi-azinic ligands, we aim to optimize the behavior of Re(I) complexes, enhancing their efficiency as photosensitizers in the degradation of harmful pollutants. ReC molecules are of particular interest due to their excellent thermal and photochemical stability, as well as their ability to facilitate electron transfer and redox reactions. When activated by light, these complexes generate reactive species capable of breaking down toxic pollutants into less harmful byproducts. This photo-driven degradation process offers a sustainable and environmentally friendly approach to removing EPs from natural waters, reducing their impact on aquatic life and human health. The unique properties of ReC, such as their excited-state behavior and efficient energy transfer, make them highly suitable for photocatalytic applications aimed at mitigating water pollution. The methodology employed in this research integrates several techniques to explore the effectiveness of ReC in pollutant degradation. These include optoacoustic measurements, absorption and fluorescence spectroscopy, laser flash photolysis, and the use of a phoreactor to simulate real-world conditions. Our recent results showed that a ferrocene-rhenium complex with phenanthroline enhanced the photodegradation of ibuprofen under oxidizing conditions. While promising, further studies, such as HPLC, are needed to determine the exact nature of the degradation products and assess the efficiency of the process. Through this approach, this research aims to contribute to the development of efficient, green technologies for degrading emerging pollutants in natural waters.Keywords: Rhenium complexes, photosensitizers, emerging pollutants, Ibuprofen
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