Search results for: metal complex

Authors: Neelam Patel

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Farmers in peri-urban areas of developing countries depend on wastewater for Irrigation but with great environmental and health hazards. Since, irrigation with wastewater is growing in the developing countries but its suitability to environment and other health factors should be checked. Metal pollution is a very serious issue these days, various neuro, physical and mental disorders are prevailing due to the metal pollution. Waste water contaminated with heavy metals got accumulated in the soil and then bioaccumulated in the vegetables irrigated with waste water. A 3-year field experiment on cauliflower has been done by using wastewater with two different methods of irrigation i.e. Drip and Flood irrigation and checked the impact on the cauliflower and soil quality. Heavy metals (Cr, Cu, Ni, Zn and Pb) have been studied in wastewater used for the irrigation and their accumulation in the soil and vegetable was studied. The study reveals that the concentration of heavy metals increases by 100 times from initial in soil. After 3 years, the concentration of Copper(41 ppm) Chromium(39.4 ppm) Lead(62.2ppm) Zinc(100.5 ppm) and Nickel(75.7 ppm) in Flood irrigated soil while in Drip irrigated soil , Copper (36.4 ppm) Chromium(36.8 ppm) Lead(53.7 ppm) Zinc(70.3 ppm) and Nickel (53.9 ppm). In vegetable, the wastewater irrigated shows an increase in the concentration of metals with the time and the accumulation of Nickel (6.98ppm), Lead (30.18 ppm) and Zinc (55.83 ppm) in drip irrigated while in flood irrigated, Nickel (30.58 ppm), Lead (73.95ppm) Zinc (93.50 ppm) and Copper (54.58 ppm) in edible part of cauliflower which is above the permissible limits suggested by different international agencies. On other hand, the nutrients content i.e. Nitrogen, Phosphorus and Potassium in soil was increased in concentration with time. The study pointed out that the metal contaminated waste water consisting the nutrients in it but also heavy metals which causes health issues in human. While the increase in concentration of nutrients in the soil indirectly helpful to the farmers economically by restricting the use of fertilizers. But the metal pollution directly affects the health of human being. The different method of irrigation suggested that the drip irrigated vegetable acquired less metal then the flood one and is a better combo with the waste water for the irrigation.

Keywords: drip irrigation, heavy metals, metal contamination, waste water

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Authors: Olivia A. Kjorlien, Maryam Asghari, Farshid Alizadeh-Shabdiz

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The goal of this paper is to investigate the impact of mosaic augmentation on the performance of object detection solutions. To carry out the study, YOLOv4 and YOLOv4-Tiny models have been selected, which are popular, advanced object detection models. These models are also representatives of two classes of complex and simple models. The study also has been carried out on two categories of objects, simple and complex. For this study, YOLOv4 and YOLOv4 Tiny are trained with and without mosaic augmentation for two sets of objects. While mosaic augmentation improves the performance of simple object detection, it deteriorates the performance of complex object detection, specifically having the largest negative impact on the false positive rate in a complex object detection case.

Keywords: accuracy, false positives, mosaic augmentation, object detection, YOLOV4, YOLOV4-Tiny

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Authors: S. Holly, R. Schnitzer, P. Haslberger, D. Zügner

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The development of new filler consumables necessitates a high effort regarding samples and experiments to achieve the required mechanical properties and chemistry. In the scope of the development of a metal-cored wire with the target tensile strength of 1150 MPa and acceptable impact toughness, thermodynamic and kinetic calculations via MatCalc were used to reduce the experimental work and the resources required. Micro alloying elements were used to reach the high strength as an alternative approach compared to the conventional solid solution hardening. In order to understand the influence of different micro alloying elements in more detail, the influence of different elements on the precipitation behavior in the weld metal was evaluated. Investigations of the microstructure were made via atom probe and EBSD to understand the effect of micro alloying elements. The calculated results are in accordance with the results obtained by experiments and can be explained by the microstructural investigations. On the example of aluminium, the approach is exemplified and clarifies the efficient way of development.

Keywords: alloy development, high strength steel, MatCalc, metal-cored wire

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Authors: Maria Pintea, Nigel Mason

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Induced chemistry is one of the newest pathways in the nanotechnology field with applications in the focused electron beam induced processes for deposition of nm scale structures. Si(OPr)₄ and Ti(OEt)₄ are two of the precursors that have not been so extensively researched, though highly sought for semiconductor and medical applications fields, the two compounds make good candidates for FEBIP and are the subject of velocity slice map imaging analysis for deposition purposes, offering information on kinetic energies, fragmentation channels, and angular distributions. The velocity slice map imaging technique is a method used for the characterization of molecular dynamics of the molecule and the fragmentation channels as a result of induced chemistry. To support the gas-phase analysis, Meso-Bio-Nano simulations of irradiation dynamics studies are employed with final results on Fe(CO)₅ deposited on various substrates. The software is capable of running large scale simulations for complex biomolecular, nano- and mesoscopic systems with applications to thermos-mechanical DNA damage, complex materials, gases, nanoparticles for cancer research and deposition applications for nanotechnology, using a large library of classical potentials, many-body force fields, molecular force fields involved in the classical molecular dynamics.

Keywords: focused electron beam induced deposition, FEBID, induced chemistry, molecular dynamics, velocity map slice imaging

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Authors: D. Abdelrazek, M. NaguibAly, A. A. Badawi, Asmaa G. Abo Elnour, A. A. El-Kafas

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This work is developed within IAEA Coordinated Research Program 1496, “Innovative methods in research reactor analysis: Benchmark against experimental data on neutronics and thermal-hydraulic computational methods and tools for operation and safety analysis of research reactors.” The study investigates the capability of Code RELAP5/Mod3.4 to solve complex geometry complexity. Its results are compared to the results of PARET, a common code in thermal hydraulic analysis for research reactors, belonging to MTR-PC groups. The WWR-SM reactor at the Institute of Nuclear Physics (INP) in the Republic of Uzbekistan is simulated using both PARET and RELAP5 at steady state. Results from the two codes are compared. REALP5 code succeeded in solving the complex fuel geometry. The PARET code needed some calculations to obtain the final result. Although the final results from the PARET are more accurate, the small differences in both results makes using RELAP5 code recommended in case of complex fuel assemblies.

Keywords: complex fuel geometry, PARET, RELAP5, WWR-SM reactor

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Authors: Rui Chen, Jinfeng Zhang, Chun-Sing Lee

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In the past couple of decades, nanoscale metal-organic frameworks (NMOFs) have been highlighted as promising delivery platforms for biomedical applications, which combine many potent features such as high loading capacity, progressive biodegradability and low cytotoxicity. While NMOF has been extensively used as carriers for drugs of different modalities, so far there is no report on exploiting the advantages of NMOF for combination therapy. Herein, we prepared core-shell nanoparticles, where each nanoparticle contains a single graphitic-phase carbon nitride (g-C3N4) nanosheet encapsulated by a zeolitic-imidazolate frameworks-8 (ZIF-8) shell. The g-C3N4 nanosheets are effective visible-light photosensitizer for photodynamic therapy (PDT). When hosting DOX (doxorubicin), the as-synthesized core-shell nanoparticles could realize combinational photo-chemo therapy and provide dual-color fluorescence imaging. Therefore, we expect NMOFs-based core-shell nanoparticles could provide a new way to achieve much-enhanced cancer therapy.

Keywords: carbon nitride, combination therapy, drug delivery, nanoscale metal-organic frameworks

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Authors: Saran Toure

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Complex shaped parts manufactured using out of autoclave prepreg vacuum bagging has a high quality finish. This is not only due to in the control of resin to fibre ratio in prepregs, but also to a reduction in fibre misalignment, slippage and stresses occurring within plies during compaction. In a bid to further reduce deformation modes and control failure modes, we carried experiments where, we introduced wetted fabrics within a prepreg plybook during compaction. Here are presented the results obtained from the vacuum bagging of a complex shaped part. The shape is that of a turbine fan blade with smooth curves all throughout ending with sharp edged angles. The quality of the final part made from this blade is compared to that of the same blade made from standard vacuum bagging process of prepregs, without introducing wetted fabrics.

Keywords: complex shaped part, prepregs, drapability, vacuum bagging

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Authors: A. J. Babajanyan, T. A. Abrahamyan, H. A. Minasyan, K. V. Nerkararyan

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Optical radiation emitted from a metal-coated fiber tip apex at liquid-air interface was measured. The intensity of the output radiation was strongly depending on the relative position of the tip to a liquid-air interface and varied with surface fluctuations. This phenomenon permits in-situ real-time investigation of nano-metric vibrations of the liquid surface and provides a basis for development of various origin ultrasensitive vibration detecting sensors. The described method can be used for detection of week seismic vibrations.

Keywords: fiber-tip, liquid-air interface, nano vibration, opto-mechanical sensor

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Authors: K. Hiro, T. Wada

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Thermodynamic properties of liquids under negative pressures are interesting and important in fields of scienceand technology. Here, phase transitions of a thermotropic liquid crystal are investigatedin a range from positive to negative pressures with a metal Berthelot tube using a commercial pressure transducer.Two co-existinglines, namely crystal (Kr) – nematic (N), and isotropic liquid (I) - nematic (N) lines, weredrawn in a pressure - temperature plane. The I-N line was drawn to ca. -5 (MPa).

Keywords: Berthelot method, liquid crystal, negative pressure, phase transitions

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Authors: I. O. Oyatayo, K. T. Oyatayo, B. Mamman

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This study was aimed at the assessment of heavy metal pollution of the water in river Benue along Ibi, Taraba State, Nigeria. Water samples were collected at ten sampling points over a distance of 100 meters each. The following water quality parameters were determined: TDS, copper, zinc, chromium, iron, mercury, nickel, and manganese, and the results were compared with the Nigerian Standard for Drinking Water Quality (NSDWQ) and WHO maximum permitted limits. The water quality analysis was conducted using the atomic absorption spectrophotometer (Model: 01-0960-00) at 510 nm. The mean value concentrations of copper, zinc, chromium, nickel, mercury, and mercury are within the permissible limits, while that of iron is above the limit. The summary of ANOVA single-factor statistics with a specified rejection level at α 0.05 is insignificant. The study concludes that the quality of water from river Benue along Ibi is deteriorating and unfit for human consumption. It was recommended that residents of the study area should be enlightened on the effects of indiscriminate dumping of waste and the proper handling and application of fertilizer and herbicides, as some of these end up in the river via surface runoff.

Keywords: heavy, metal, pollution, river, Ibi

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Authors: Carine Enow-Ayor Tarkang, Victorine Neh Akenji, Dmitri Rouwet, Jodephine Njdma, Andrew Ako Ako, Franco Tassi, Jules Remy Ngoupayou Ndam

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Groundwater is the major water resource in the whole of Bafia used for drinking, domestic, poultry and agricultural purposes, and being an area of intense agriculture, there is a great necessity to do a quality assessment. Bafia is one of the main food suppliers in the Centre region of Cameroon, and so to meet their demands, the farmers make use of fertilizers and other agrochemicals to increase their yield. Less than 20% of the population in Bafia has access to piped-borne water due to the national shortage, according to the authors best knowledge very limited studies have been carried out in the area to increase awareness of the groundwater resources. The aim of this study was to assess heavy metal contamination levels in ground and surface waters and to evaluate the effects of agricultural inputs on water quality in the Bafia area. 57 water samples (including 31 wells, 20 boreholes, 4 rivers and 2 springs) were analyzed for their physicochemical parameters, while collected samples were filtered, acidified with HNO3 and analyzed by ICP-MS for their heavy metal content (Fe, Ti, Sr, Al, Mn). Results showed that most of the water samples are acidic to slightly neutral and moderately mineralized. Ti concentration was significantly high in the area (mean value 130µg/L), suggesting another Ti source besides the natural input from Titanium oxides. The high amounts of Mn and Al in some cases also pointed to additional input, probably from fertilizers that are used in the farmlands. Most of the water samples were found to be significantly contaminated with heavy metals exceeding the WHO allowable limits (Ti-94.7%, Al-19.3%, Mn-14%, Fe-5.2% and Sr-3.5% above limits), especially around farmlands and topographic low areas. The heavy metal concentration was evaluated using the heavy metal pollution index (HPI), heavy metal evaluation index (HEI) and degree of contamination (Cd), while the Ficklin diagram was used for the water based on changes in metal content and pH. The high mean values of HPI and Cd (741 and 5, respectively), which exceeded the critical limit, indicate that the water samples are highly contaminated, with intense pollution from Ti, Al and Mn. Based on the HPI and Cd, 93% and 35% of the samples, respectively, are unacceptable for drinking purposes. The lowest HPI value point also had the lowest EC (50 µS/cm), indicating lower mineralization and less anthropogenic influence. According to the Ficklin diagram, 89% of the samples fell within the near-neutral low-metal domain, while 9% fell in the near-neutral extreme-metal domain. Two significant factors were extracted from the PCA, explaining 70.6% of the total variance. The first factor revealed intense anthropogenic activity (especially from fertilizers), while the second factor revealed water-rock interactions. Agricultural activities thus have an impact on the heavy metal content of groundwater in the area; hence, much attention should be given to the affected areas in order to protect human health/life and thus sustainably manage this precious resource.

Keywords: Bafia, contamination, degree of contamination, groundwater, heavy metal pollution index

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Authors: Carl-Magnus Everitt, Bo Alfredsson

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Contact mechanics and tribology have been combined with fundamental fatigue and fracture mechanics to form the asperity mechanism which supplies an explanation for the surface-initiated rolling contact fatigue damage, called pitting or spalling. The cracks causing the pits initiates at one surface point and thereafter they slowly grow into the material before chipping of a material piece to form the pit. In the current study, the lubrication aspects on fatigue initiation are simulated by passing a single asperity through a thermal elastohydrodynamic lubricated, TEHL, contact. The physics of the lubricant was described with Reynolds equation and the lubricants pressure-viscosity relation was modeled by Roelands equation, formulated to include temperature dependence. A pressure dependent shear limit was incorporated. To capture the full phenomena of the sliding contact the temperature field was resolved through the incorporation of the energy flow. The heat was mainly generated due to shearing of the lubricant and from dry friction where metal contact occurred. The heat was then transported, and conducted, away by the solids and the lubricant. The fatigue damage caused by the asperities was evaluated through Findley’s fatigue criterion. The results show that asperities, in the size of surface roughness found in applications, may cause surface initiated fatigue damage and crack initiation. The simulations also show that the asperities broke through the lubricant in the inlet, causing metal to metal contact with high friction. When the asperities thereafter moved through the contact, the sliding provided the asperities with lubricant releasing the metal contact. The release of metal contact was possible due to the high viscosity the lubricant obtained from the high pressure. The metal contact in the inlet caused higher friction which increased the risk of fatigue damage. Since the metal contact occurred in the inlet it increased the fatigue risk more for asperities subjected to negative slip than positive slip. Therefore the fatigue evaluations showed that the asperities subjected to negative slip yielded higher fatigue stresses than the asperities subjected to positive slip of equal magnitude. This is one explanation for why pitting is more common in the dedendum than the addendum on pinion gear teeth. The simulations produced further validation for the asperity mechanism by showing that asperities cause surface initiated fatigue and crack initiation.

Keywords: fatigue, rolling, sliding, thermal elastohydrodynamic

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Authors: Fawaz A. Binsarra, Halim Boussabaine

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The notion of complexity science has been attracting the interest of researchers and professionals due to the need of enhancing the efficiency of understanding complex systems dynamic and structure of interactions. In addition, complexity analysis has been used as an approach to investigate complex systems that contains a large number of components interacts with each other to accomplish specific outcomes and emerges specific behavior. The design process is considered as a complex action that involves large number interacted components, which are ranked as design tasks, design team, and the components of the design process. Those three main aspects of the building design process consist of several components that interact with each other as a dynamic system with complex information flow. In this paper, the goal is to uncover the complex structure of information interactions in building design process. The Investigating of Royal Institute of British Architects Plan Of Work 2013 information interactions as a case study to uncover the structure and building design process complexity using network analysis software to model the information interaction will significantly enhance the efficiency of the building design process outcomes.

Keywords: complexity, process, building desgin, Riba, design complexity, network, network analysis

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Authors: C. Malça, P. Gonçalves, N. Alves, A. Mateus

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Regardless of the manufacturing process used, subtractive or additive, material, purpose and application, produced components are conventionally solid mass with more or less complex shape depending on the production technology selected. Aspects such as reducing the weight of components, associated with the low volume of material required and the almost non-existent material waste, speed and flexibility of production and, primarily, a high mechanical strength combined with high structural performance, are competitive advantages in any industrial sector, from automotive, molds, aviation, aerospace, construction, pharmaceuticals, medicine and more recently in human tissue engineering. Such features, properties and functionalities are attained in metal components produced using the additive technique of Rapid Prototyping from metal powders commonly known as Selective Laser Melting (SLM), with optimized internal topologies and varying densities. In order to produce components with high strength and high structural and functional performance, regardless of the type of application, three different internal topologies were developed and analyzed using numerical computational tools. The developed topologies were numerically submitted to mechanical compression and four point bending testing. Finite Element Analysis results demonstrate how different internal topologies can contribute to improve mechanical properties, even with a high degree of porosity relatively to fully dense components. Results are very promising not only from the point of view of mechanical resistance, but especially through the achievement of considerable variation in density without loss of structural and functional high performance.

Keywords: additive manufacturing, internal topologies, porosity, rapid prototyping, selective laser melting

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Authors: Włodzimierz Lewandowski, Renata Świsłocka, Aleksandra Golonko, Grzegorz Świderski, Monika Kalinowska

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Caffeic acid (3,4-dihydroxycinnamic) is distributed in a free form or as ester conjugates in many fruits, vegetables and seasonings including plants used for medical purpose. Caffeic acid is present in propolis – a substance with exceptional healing properties used in natural medicine since ancient times. The antioxidant, antibacterial, antiinflammatory and anticarcinogenic properties of caffeic acid are widely described in the literature. The biological activity of chemical compounds can be modified by the synthesis of their derivatives or metal complexes. The structure of the compounds determines their biological properties. This work is a continuation of the broader topic concerning the investigation of the correlation between the electronic charge distribution and biological (anticancer and antioxidant) activity of the chosen phenolic acids and their metal complexes. In the framework of this study the synthesis of new metal complexes of sodium, magnesium, aluminium, iron (III) ruthenium (III) and osmium (III) with caffeic acid was performed. The spectroscopic properties of these compounds were studied by means of FT-IR, FT-Raman, UV-Vis, ¹H and ¹³C NMR. The quantum-chemical calculations (at B3LYP/LAN L2DZ level) of caffeic acid and selected complexes were done. Moreover the antioxidant properties of synthesized complexes were studied in relation to selected stable radicals (method of reduction of DPPH and method of reduction of ABTS). On the basis of the differences in the number, intensity and locations of the bands from the IR, Raman, UV/Vis and NMR spectra of caffeic acid and its metal complexes the effect of metal cations on the electronic system of ligand was discussed. The geometry, theoretical spectra and electronic charge distribution were calculated by the use of Gaussian 09 programme. The geometric aromaticity indices (Aj – normalized function of the variance in bond lengths; BAC - bond alternation coefficient; HOMA – harmonic oscillator model of aromaticity and I₆ – Bird’s index) were calculated and the changes in the aromaticity of caffeic acid and its complexes was discussed. This work was financially supported by National Science Centre, Poland, under the research project number 2014/13/B/NZ7/02-352.

Keywords: antioxidant properties, caffeic acid, metal complexes, spectroscopic methods

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Authors: V. Pérez-Herranz, M. Pinel, E. M. Ortega, M. García-Gabaldón

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In the present work, Electrochemical Impedance Spectrocopy (EIS) is applied to study the transport of different metal cations through a cation-exchange membrane. This technique enables the identification of the ionic-transport characteristics and to distinguish between different transport mechanisms occurring at different current density ranges. The impedance spectra are dependent on the applied dc current density, on the type of cation and on the concentration. When the applied dc current density increases, the diameter of the impedance spectra loops increases because all the components of membrane system resistance increase. The diameter of the impedance plots decreases in the order of Na(I), Ni(II) and Cr(III) due to the increased interactions between the negatively charged sulfonic groups of the membrane and the cations with greater charge. Nyquist plots are shifted towards lower values of the real impedance, and its diameter decreases with the increase of concentration due to the decrease of the solution resistance.

Keywords: ion-exchange membranes, Electrochemical Impedance Spectrocopy, multivalent metal cations, membrane system

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Authors: Sabeen Alam, Mehboob Alam

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The research work entitled “Effect of Bacillus pumilus strains on heavy metal accumulation in lettuce grown on contaminated soil” focused on functional role of Bacillus pumilus strains inoculated with lettuce seed in mitigating heavy metal in chromite mining soil. In this experiment, factor A was three Bacillus pumilus strains (sequence C-2PMW-8, C-1 SSK-8 and C-1 PWK-7) while soil used for this experiment was collected from Prang Ghar mining site and lettuce seeds were grown in three levels of chromite mining soil (2.27, 4.65 and 7.14 %). For mining soil minimum days to germinate noted in lettuce grown on garden soil inoculated with sequence. Maximum germination percentage noted was for C-1 SSK-8 grown on garden soil, maximum lettuce height for sequence C-2 PWM-8, fresh leaf weight for C-1 PWK-7 inoculated lettuce, dry weight of lettuce leaf for lettuce inoculated with C-1 SSK-8 and C-1 PWK-7 strains, number of leaves per plant for lettuce inoculated with C-1 SSK-8, leaf area for C-2 PMW-8 inoculated lettuce, survival percentage for C-1 SSK-8 treated lettuce and chlorophyll content for C-2 PMW-8. Results related to heavy metals accumulation showed that minimum chromium was in lettuce and in soil for all three sequences, cadmium (Cd) in lettuce and in soil for all three sequences, manganese (Mn) in lettuce and in soil for three sequences, lead (Pb) in lettuce and in soil for three sequences. It can be concluded that chromite mining soil significantly reduced the growth and survival of lettuce, but when lettuce was inoculated with Bacillus.pumilus strains, it enhances growth and survival. Similarly, minimum heavy metal accumulation in plant and soil, regardless of type of Bacillus pumilus used, all three sequences has same mitigating effect on heavy metal in both soil and lettuce. All the three Bacillus pumilus strains ensured reduction in heavy metals content (Mn, Cd, Cr) in lettuce, below the maximum permissible limits of WHO 2011.

Keywords: bacillus pumilus, heavy metals, permissible limits, lettuce, chromite mining soil, mitigating effect

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Authors: Anca Radulescu, Danae Evans

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The relationship between a network’s hardwiring and its emergent dynamics are central to neuroscience. We study the principles of this correspondence in a canonical setup (in which network nodes exhibit well-studied complex quadratic dynamics), then test their universality in biological networks. By extending methods from discrete dynamics, we study the effects of network connectivity on temporal patterns, encapsulating long-term behavior into the rich topology of network Mandelbrot sets. Then elements of fractal geometry can be used to predict and classify network behavior.

Keywords: canonical model, complex dynamics, dynamic networks, fractals, Mandelbrot set, network connectivity

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Authors: Nedal N. Marei, Nashaat Nassar

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Many treatment techniques have been used to remove the soluble pollutants from wastewater as; dyes and metal ions which could be found in rich amount in the used water of the textile and tanneries industry. The effluents from these industries are complex, containing a wide variety of dyes and other contaminants, such as dispersants, acids, bases, salts, detergents, humectants, oxidants, and others. These techniques can be divided into physical, chemical, and biological methods. Adsorption has been developed as an efficient method for the removal of heavy metals from contaminated water and soil. It is now recognized as an effective method for the removal of both organic and inorganic pollutants from wastewaters. Nanosize materials are new functional materials, which offer high surface area and have come up as effective adsorbents. Nano alumina is one of the most important ceramic materials widely used as an electrical insulator, presenting exceptionally high resistance to chemical agents, as well as giving excellent performance as a catalyst for many chemical reactions, in microelectronic, membrane applications, and water and wastewater treatment. In this study, methylene blue (MB) dye has been used as model dye of textile wastewater in order to synthesize a synthetic MB wastewater. NiO nanoparticles were added in small percentage in the sand packed bed adsorption columns to remove the MB from the synthetic textile wastewater. Moreover, different parameters have been evaluated; flow of the synthetic wastewater, pH, height of the bed, percentage of the NiO to the sand in the packed material. Different mathematical models where employed to find the proper model which describe the experimental data and help to analyze the mechanism of the MB adsorption. This study will provide good understanding of the dyes adsorption using metal oxide nanoparticles in the classical sand bed.

Keywords: adsorption, column, nanoparticles, methylene

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Authors: Cheng Shen, LaiHong Shen

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Ammonia is an important carrier of hydrogen energy, with the characteristics of high hydrogen content density and no carbon dioxide emission. Ammonia synthesis by the Haber process is the main method for industrial ammonia synthesis, but the conversion rate of ammonia per pass is only about 12%, while the conversion rate of biomass synthesis ammonia is as high as 56%. Therefore, safe and efficient ammonia capture for ammonia synthesis from biomass is an important way to alleviate the energy crisis and solve the energy problem. Metal chloride has a chemical adsorption effect on ammonia, and can be desorbed at high temperature to obtain high-concentration ammonia after combining with ammonia, which has a good development prospect in ammonia capture and separation technology. In this paper, the ammonia adsorption properties of CuCl₂ were measured, and the composite adsorbents were prepared by using silicon and multi-walled carbon nanotubes respectively to support CuCl₂, and the ammonia adsorption properties of the composite adsorbents were studied. The study found that the ammonia adsorption capacity of the three adsorbents decreased with the increase in temperature, so metal chlorides were more suitable for the low-temperature adsorption of ammonia. Silicon and multi-walled carbon nanotubes have an enhanced effect on the ammonia adsorption of CuCl₂. The reason is that the porous material itself has a physical adsorption effect on ammonia, and silicon can play the role of skeleton support in cupric chloride particles, which enhances the pore structure of the adsorbent, thereby alleviating sintering.

Keywords: ammonia, adsorption properties, metal chloride, silicon, MWCNTs

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Authors: Mahmoud H. Abu Elella, Riham R. Mohamed, Magdy W. Sabaa

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Firstly, synthesis of N-Quaternized Chitosan (NQC), then it was proven by FTIR and 1H-NMR analysis. The degree of quaternization(DQ 35% ) was determined by equation. Secondly, synthesis of cross-linked hydrogels composed of NQC and poly (vinyl alcohol) (PVA) in different weight ratios in presence of glutaraldehyde (GA) as cross-linking agent. Characterization of the prepared hydrogels was done using FTIR, SEM, XRD,and TGA. Swellability in simulated body fluid (SBF) solutions applied on NQC / PVA hydrogels and swelling rate(Wt%) and metal ions uptake was done on it.

Keywords: hydrogel, metal ions uptake, N-quaternized chitosan, poly (vinyl alcohol), swellability

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Authors: Khaled Ayfi, Morgan Dal, Frederic Coste, Nicolas Gallienne, Martina Ridlova, Philippe Lorong

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In the gas industry, contamination of equipment by metal particles is one of the feared phenomena. Indeed, particles inside equipment can be driven by the gas flow and accumulate in places where the velocity is low. As they constitute a potential ignition hazard, particular attention is paid to the presence of particles in the oxygen industry. Indeed, the heat release from ignited particles may damage the equipment and even result in a loss of integrity. The objective of this work is to support the development of new design criteria. Studying the thermomechanical behavior of this equipment, thanks to numerical simulations, allows us to test the influence of various operating parameters (oxygen pressure, wall thickness, initial operating temperature, nature of the metal, etc.). Therefore, in this study, we propose a numerical model that describes the thermomechanical behavior of various pressurized installations heated locally by the combustion of small particles. This model takes into account the geometric and material nonlinearity and has been validated by the comparison of simulation results with experimental measurements obtained by a new device developed in this work.

Keywords: ignition, oxygen, numerical simulation, thermomechanical behaviour

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Authors: Caroline Alice Rouget-Virbel, F. Dean Toste

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Heterobimetallic systems have been precedented in a wide array of bioinorganic and heterogeneous catalytic settings, in which cooperative bond-breaking and bond-forming events mediated by neighboring metal sites have been proposed but are challenging to study and characterize. Heterodinuclear transition-metal catalysis has recently emerged as a promising strategy to tackle challenging chemical transformations, including C−C and C−X couplings as well as small molecule activation. It has been shown that these reactions can traverse nontraditional mechanisms, reactivities, and selectivities when homo- and heterobimetallic systems are employed. Moreover, stoichiometric studies of transmetallation from gold complexes have demonstrated that R transfer from PPh3–Au(I)R to Cp- and Cp*-ligated group 8/9 complexes is a viable elementary step. With these considerations in mind, we hypothesized that heterobimetallic Au–M complexes could serve as a viable and tunable catalyst platform to explore mechanisms and reactivity. In this work, heterobimetallic complexes containing Au(I) centers tethered to Ir(III) and Rh(III) piano stool moieties were synthesized and characterized. Preliminary application of these complexes to a catalytic allylic arylation reaction demonstrates bimetallic cooperativity relative to their monomeric metal components.

Keywords: heterobimetallic, catalysis, gold, rhodium

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Authors: K. Vinutha

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The stress corrosion resistance of ZA-27 / TiO2 metal matrix composites (MMC’s) in high temperature acidic media has been evaluated using an autoclave. The liquid melt metallurgy technique using vortex method was used to fabricate MMC’s. TiO2 particulates of 50-80 µm in size are added to the matrix. ZA-27 containing 2,4,6 weight percentage of TiO2 are prepared. Stress corrosion tests were conducted by weight loss method for different exposure time, normality and temperature of the acidic medium. The corrosion rates of composites were lower to that of matrix ZA-27 alloy under all conditions.

Keywords: autoclave, MMC’s, stress corrosion, vortex method

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Authors: Monika Kamocka, Radoslaw Mania

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The design of Fiber Metal Laminates - combining thin aluminum sheets and prepreg layers, allows creating a hybrid structure with high strength to weight ratio. This feature makes FMLs very attractive for aerospace industry, where thin-walled structures are commonly used. Nevertheless, those structures are prone to buckling phenomenon. Buckling could occur also under static load as well as dynamic pulse loads. In this paper, the problem of dynamic buckling of open cross-section FML profiles under axial dynamic compression in the form of pulse load of finite duration is investigated. In the numerical model, material properties of FML constituents were assumed as nonlinear elastic-plastic aluminum and linear-elastic glass-fiber-reinforced composite. The influence of pulse shape was investigated. Sinusoidal and rectangular pulse loads of finite duration were compared in two ways, i.e. with respect to magnitude and force pulse. The dynamic critical buckling load was determined based on Budiansky-Hutchinson, Ari Gur, and Simonetta dynamic buckling criteria.

Keywords: dynamic buckling, dynamic stability, Fiber Metal Laminate, Finite Element Method

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Authors: Peter Jean-Paul, Shanaz Wahid

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The problem of division by zero can be stated as: “what is the value of 0 x 1/0?” This expression has been considered undefined by mathematicians because it can have two equally valid solutions either 0 or 1. Recently semi-structured complex number set was invented to solve “division by zero”. However, whilst the number set had some merits it was considered to have a poor theoretical foundation and did not provide a quality solution to “division by zero”. Moreover, the set lacked consistency in simple algebraic calculations producing contradictory results when dividing by zero. To overcome these issues this research starts by treating the expression " 0 x 1/0" as a quantum mechanical system that produces two tangled results 0 and 1. Dirac Notation (a tool from quantum mechanics) was then used to redefine the unstructured unit p in semi-structured complex numbers so that p represents the superposition of two results (0 and 1) and collapses into a single value when used in algebraic expressions. In the process, this paper describes a new number set called Quantum Semi-structured Complex Numbers that provides a valid solution to the problem of “division by zero”. This research shows that this new set (1) forms a “Field”, (2) can produce consistent results when solving division by zero problems, (3) can be used to accurately describe systems whose mathematical descriptions involve division by zero. This research served to provide a firm foundation for Quantum Semi-structured Complex Numbers and support their practical use.

Keywords: division by zero, semi-structured complex numbers, quantum mechanics, Hilbert space, Euclidean space

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Authors: Arpan Kumar Nayak, Debabrata Pradhan

Abstract:

A simple, single-step and one-pot hydrothermal method was employed to synthesize WO₃-SnO₂ mixed nanostructured metal oxides at 200°C in 12h. The SnO₂ nanoparticles were found to be uniformly decorated on the WO₃ nanoplates. Though it is widely known that noble metals such as Pt, Pd doping or decoration on metal oxides improve the sensing response and sensitivity, we varied the SnO₂ concentration in the WO₃-SnO₂ mixed oxide and demonstrated their performance in ammonia, ethanol and acetone sensing. The sensing performance of WO₃-(x)SnO₂ [x = 0.27, 0.54, 1.08] mixed nanostructured oxides was found to be not only superior to that of pristine oxides but also higher/better than that of reported noble metal-based sensors. The sensing properties (selectivity, limit of detection, response and recovery times) are measured as a function of operating temperature (150-350°C). In particular, the gas selectivity is found to be highly temperature-dependent with optimum performance obtained at 200°C, 300°C and 350°C for ammonia, ethanol, and acetone, respectively. The present results on cost effective WO₃-SnO₂ sensors can find potential application in human breath analysis by noninvasive detection.

Keywords: gas sensing, mixed oxides, nanoplates, ammonia, ethanol, acetone

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Authors: Mohamed dammak

Abstract:

Great attention has been paid to the design and synthesis of novel organic-inorganic compounds in recent decades because of their structural variety and the large diversity of atomic arrangements. In this work, the structure for the novel dimethyl aminopyridine tetrachlorocobaltate (C₇H₁₁N₂)₂CoCl₄ prepared by the slow evaporation method at room temperature has been successfully discussed. The X-ray diffraction results indicate that the hybrid material has a triclinic structure with a P space group and features a 0D structure containing isolated distorted [CoCl₄]2- tetrahedra interposed between [C7H11N²⁻]+ cations forming planes perpendicular to the c axis at z = 0 and z = ½. The effect of the synthesis conditions and the reactants used, the interactions between the cationic planes, and the isolated [CoCl4]2- tetrahedra are employing N-H...Cl and C-H…Cl hydrogen bonding contacts. The inspection of the Hirshfeld surface analysis helps to discuss the strength of hydrogen bonds and to quantify the inter-contacts. A phase transition was discovered by thermal analysis at 390 K, and comprehensive dielectric research was reported, showing a good agreement with thermal data. Impedance spectroscopy measurements were used to study the electrical and dielectric characteristics over a wide range of frequencies and temperatures, 40 Hz–10 MHz and 313–483 K, respectively. The Nyquist plot (Z" versus Z') from the complex impedance spectrum revealed semicircular arcs described by a Cole-Cole model. An electrical circuit consisting of a link of grain and grain boundary elements is employed. The real and imaginary parts of dielectric permittivity, as well as tg(δ) of (C₇H₁₁N₂)₂CoCl₄ at different frequencies, reveal a distribution of relaxation times. The presence of grain and grain boundaries is confirmed by the modulus investigations. Electric and dielectric analyses highlight the good protonic conduction of this material.

Keywords: organic-inorganic, phase transitions, complex impedance, protonic conduction, dielectric analysis

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Authors: Ömer Tamer, Davut Avcı, Yusuf Atalay

Abstract:

Novel picolinate complex of manganese(II) ion, [Mn(pic)2] [pic: picolinate or 2-pyridinecarboxylate], was prepared and fully characterized by single crystal X-ray structure determination. The manganese(II) complex was characterized by FT-IR, FT-Raman and UV–Vis spectroscopic techniques. The C=O, C=N and C=C stretching vibrations were found to be strong and simultaneously active in IR and spectra. In order to support these experimental techniques, density functional theory (DFT) calculations were performed at Gaussian 09W. Although the supramolecular interactions have some influences on the molecular geometry in solid state phase, the calculated data show that the predicted geometries can reproduce the structural parameters. The molecular modeling and calculations of IR, Raman and UV-vis spectra were performed by using DFT levels. Nonlinear optical (NLO) properties of synthesized complex were evaluated by the determining of dipole moment (µ), polarizability (α) and hyperpolarizability (β). Obtained results demonstrated that the manganese(II) complex is a good candidate for NLO material. Stability of the molecule arising from hyperconjugative interactions and charge delocalization was analyzed using natural bond orbital (NBO) analysis. The highest occupied and the lowest unoccupied molecular orbitals (HOMO and LUMO) which is also known the frontier molecular orbitals were simulated, and obtained energy gap confirmed that charge transfer occurs within manganese(II) complex. Molecular electrostatic potential (MEP) for synthesized manganese(II) complex displays the electrophilic and nucleophilic regions. From MEP, the the most negative region is located over carboxyl O atoms while positive region is located over H atoms.

Keywords: DFT, picolinate, IR, Raman, nonlinear optic

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Authors: Fatemeh Mirakhorli

Abstract:

Porosity is the main issue during welding of aluminum alloys, and surface cleaning has a critical influence to reduce the porosity level by removing the oxidized surface layer before fusion welding. Developing an optimum and economical surface cleaning method has an enormous benefit for aluminum welding industries to reduce costs related to repairing and repeating welds as well as increasing the mechanical properties of the joints. In this study, several mechanical and chemical surface cleaning methods were examined for butt joint welding of 2 mm thick AA6xxx alloys using ER5556 filler metal. The effects of each method on porosity formation and tensile properties are evaluated. It has been found that, compared to the conventional mechanical cleaning method, the use of chemical cleaning leads to an important reduction in porosity level even after a significant delay between cleaning and welding. The effect of the higher porosity level in the fusion zone to reduce the tensile strength of the welds is shown.

Keywords: gas metal arc welding (GMAW), aluminum alloy, surface cleaning, porosity formation, mechanical property

Procedia PDF Downloads 114