Search results for: asymmetrical diffraction orders

Authors: Bensacia Nabila, Hadj-Ziane Amel, Sefah Karima

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Carbon nanocomposites have received more attention in the last years in view of their special properties such as low density, high specific surface area, and thermal and mechanical stability. Taking into account the importance of these materials, many studies aimed at improving the synthesis process have been conducted. However, the presence of impurities could affect significantly the properties of these materials, and the characterization of these compounds is an important challenge to assure the quality of the new carbon nanocomposites. The present study aims to develop a new recyclable decontaminating material for dyes removal. This new material consists of an active element based on carbon nanotubes wrapped in a microcapsule of iron oxide. The adsorbent is characterized by Transmission electron microscopy, X-ray diffraction and the surface area was measured by the BET method.

Keywords: carbon nanocomposite, chitozen, elimination, dyes

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Authors: Titilayo Shodeinde, Bukola Dawodu

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Aquaculture practice in Nigeria is an industry that includes fish development in a controlled situation. It has developed through various stages and stages with its latent capacity yet to be completely tapped. To avow this potential in adding to human advancement, nourishment security and improved way of life, the aquaculture business requires new approaches. Subsequently, this seminar paper reviews the impact of aquaculture on sustainable development in Nigeria. The examination received on subjective research strategy. The segments and the frameworks of business fish cultivating were completely talked about. Additionally, imperatives to business fish cultivating in the area were explained. The systems for advancing business aquaculture, for example, increment in consciousness of aquaculture items, financing of aquaculture data sources, preparing and labor improvement, government support, arrangement of fish ranchers agreeable social orders, access to advances and credit offices, advancement of research exercises, viable fisheries approaches, great institutional structure, and decreasing the degrees of defilement and instability in the district, were plainly brought up as a veritable devices, for changing the current situation with aquaculture in Niger Delta, through arranged, engaged and composed compelling administration procedures, by singular ranchers, government organizations and applicable foundations for economical advancement of the locale specifically and the nation by and large.

Keywords: aquaculture, sustainability, Nigeria, research

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Authors: Branko Skoric, Aleksandar Miletic, Pal Terek, Lazar Kovacevic, Milan Kukuruzovic

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In this paper, we present the results of a study of TiN thin films which are deposited by a Physical Vapour Deposition (PVD) and Ion Beam Assisted Deposition (IBAD). In the present investigation the subsequent ion implantation was provided with N⁵⁺ ions. The ion implantation was applied to enhance the mechanical properties of surface. The thin film deposition process exerts a number of effects such as crystallographic orientation, morphology, topography, densification of the films. A variety of analytic techniques were used for characterization, such as scratch test, calo test, Scanning electron microscopy (SEM), Atomic Force Microscope (AFM), X-ray diffraction (XRD) and Energy Dispersive X-ray analysis (EDAX).

Keywords: coating, super hard, ion implantation, nanohardness

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Authors: Natsumi Murakami, Jae-Ho Kim, Susumu Yonezawa

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The calcium fluorosilicate (CaSiF₆) was prepared from calcium silicate (CaSiO₃) with fluorine gas at 25 ~ 200 ℃ and 760 Torr for 1~24 h. Especially, the pure CaSiF₆ could be prepared at 25 ℃ for 24 h with F₂ gas from the results of X-ray diffraction. Increasing temperature to higher than 100 ℃, the prepared CaSiF₆ was decomposed into CaF₂ and SiF₄. The release of SiF₄ gas was confirmed by the results of gas-phase infrared spectroscopy. In this study, we tried to modify the surface of polycarbonate (PC) resin using the SiF₄ gas released from CaSiF₆ particles. By using the prepared CaSiF₆, the surface roughness of fluorinated PC samples was approximately four times larger than that (1.4 nm) of the untreated sample. The results of X-ray photoelectron spectroscopy indicated the formation of fluorinated bonds (e.g., -CFx) on the surface of PC after surface fluorination. Consequently, the CaSiF₆ particles can be useful for a new fluorinating agent.

Keywords: calcium fluorosilicate, fluorinating agent, polycarbonate, surface fluorination

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Authors: N. Kazantseva, P. Krakhmalev, I. Yadroitsev, A. Fefelov, N. Vinogradova, I. Ezhov, T. Kurennykh

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Martensitic texture-phase transition in Selective Laser Melting (SLM) Ti-6Al-4V (ELI) alloys was found. Electron Backscatter Diffraction (EBSD) analysis showed the initial cubic beta < 100 > (001) BCC texture. Such kind of texture is observed in BCC metals with flat rolling texture when axis is in the direction of rolling and the texture plane coincides with the plane of rolling. It was found that the texture of the parent BCC beta-phase determined the texture of low-temperature HCP alpha-phase limited the choice of its orientation variants. The {10-12} < -1011 > twinning system in titanium alloys after SLM was determined. Analysis of the oxygen contamination in SLM alloys was done. Comparison of the obtained results with the conventional titanium alloys is also provided.

Keywords: additive technology, texture, twins, Ti-6Al-4V, oxygen content

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Authors: Meriem Hamla, Mohamed Benaicha, Sabrine Derbal

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In the present work, several materials such as M/glass (M = Pt, Mo) were investigated to test their suitability for studying the early nucleation stages and growth of copper-tin clusters. It was found that most of these materials stand as good substrates to be used in the study of the nucleation and growth of electrodeposited Cu-Sn alloys from aqueous solution containing CuCl2, SnCl2 as electroactive species and Na3C6H5O7 as complexing agent. Among these substrates, Pt shows instantaneous models followed by 3D diffusion-limited growth. On the other hand, the electrodeposited copper-tin thin films onto Mo substrate followed progressive nucleation. The deposition mechanism of the Cu-Sn films has been studied using stationary electrochemical techniques (cyclic voltammetery (CV) and chronoamperometry (CA). The structural, morphological and compositional of characterization have been studied using X-ray diffraction (XRD), scanning electron microscopy (SEM) and EDAX techniques respectively.

Keywords: electrodeposition, CuSn, nucleation, mechanism

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Authors: Yessentayeva K. Y., Berzhanova R. Z., Mukasheva T. D.

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The purpose of this study was to study the microbial diversity of soils with long-standing hydrocarbon pollution in the S. Balgimbayev field (Kazakhstan), where the transformation of meadow coastal soils technogenic solonchak soils, as well as the assessment of the degradation potential of microorganisms perspective for the use for bioremediation. In the present work autochthonous microorganisms of the surface horizon of soils were investigated. In samples with a low degree of pollution the number of microorganisms, was comparable to the number in the uncontaminated soil and was 103 - 104 CFU/g. and one and two orders of magnitude lower in samples with high oil content. A collection of microorganisms was created using different culture media, which made it possible to isolate isolates that play a key role in different successional stages of biodegradation of petroleum hydrocarbons. The collection included the main bacterial filiiments, Protobacteria, Firmicutes, Actinobacteria and Bacteroidetes. Mycelial fungi andyeast-like fungwere assigned to the Ascomycota division. Studies showed that the percentage of isolates capable of growth in hydrocarbons varied. More than 50 % of the isolates grew on crude oil, a low percentage of less than 10 % of the isolates grew on an anthracene, phenanthrene and naphthalene, more than 20 % of the isolates belonging to different genera Pseudomonas, Bacillus, Rhodococcus, Achromobacter, Gordonia, Microbacterium, and Trichosporon, characterized the growth on two or three different hydrocarbons. The ability to grow using all hydrocarbons, associated with the synthesis of biosurfactants, was detected only in a few isolates.

Keywords: oil, soil, number of bioremediation, biodegradation, microorganisms, hydrocarbons – oxidizing microorganisms

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Authors: Mohamed Khedr, Ahmed Farghali, Waleed El Rouby, Abdelrhman Hamdeldeen

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Pure CeO2, Sm and Gd doped CeO2 were successfully prepared via hydrothermal method. The effect of hydrothermal temperature, reaction time and precursors were investigated. The prepared nanoparticles were characterized using X-ray diffraction (XRD), FT-Raman Spectroscopy, transmission electron microscope (TEM) and field emission scanning electron microscope (FESEM). The prepared pure and doped CeO2 nanoparticles were used as photo-catalyst for the degradation of Methylene blue (MB) dye under UV light irradiation. The results showed that Gd doped CeO2 nano-particles have the best catalytic degradation effect for MB under UV irradiation. The degradation pathways of MB were followed using liquid chromatography (LC/MS) and it was found that Gd doped CeO2 was able to oxidize MB dye with a complete mineralization of carbon, nitrogen and sulfur heteroatoms into CO2, NH4+, NO3- and SO42-.

Keywords: CeO2, doped CeO2, photocatalysis, methylene blue

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Authors: Santiago Silva de Andrade

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In recent decades, Marx's ecological theory of the value-form and the theory of metabolic rift have represented fundamental methodological innovations for social scientists interested in environmental transformations and their relationships with the development of the capital system. However, among Latin American environmental historians, such theoretical and methodological instruments have been used infrequently and very cautiously. This investigation aims to demonstrate how the concepts of metabolic rift and ecological value-form are important for understanding the environmental, economic and social transformations in the Amazon region between the second half of the 19th century and the end of the 20th century. Such transformations manifested themselves mainly in two dimensions: the first concerns the link between the manufacture of tropical substances for export and scientific developments in the fields of botany, chemistry and agriculture. This link was constituted as a set of social, intellectual and economic relations that condition each other, configuring an asymmetrical field of exchanges and connections between the demands of the industrialized world - personified in scientists, naturalists, businesspeople and bureaucrats - and the agencies of local social actors, such as indigenous people, riverside dwellers and quilombolas; the second dimension concerns the imperative link between the historical development of the capitalist world-system and the restructuring of the natural world, its landscapes, biomes and social relations, notably in peripheral colonial areas. The environmental effects of capitalist globalization were not only seen in the degradation of exploited environments, although this has been, until today, its most immediate and noticeable aspect. There was also, in territories subject to the logic of market accumulation, the reformulation of patterns of authority and institutional architectures, such as property systems, political jurisdictions, rights and social contracts, as a result of the expansion of commodity frontiers between the 16th and 21st centuries. . This entire set of transformations produced impacts on the ecological landscape of the Amazon. This demonstrates the need to investigate the histories of local configurations of power, spatial and ecological - with their institutions and social actors - and their role in structuring the capitalist world-system , under the lens of the ecological theory of value-form and metabolic rift.

Keywords: amazon, ecology, form-value, metabolic rift

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Authors: Vida Jodaeian, Behzad Sani

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Copper nanoparticles were successfully synthesized and characterized on green-extracted Carrageenan from seaweed by precipitation method without using any supporter and template with precipitation method. The crystallinity, optical properties, morphology, and composition of products were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), and Fourier transforms infrared (FT-IR) spectroscopy. The effects of processing parameters on the size and shape of Cu- nanostructures such as effect of pH were investigated. It is found that the reaction at lower pH values (acidic) could not be completed and pH = 8.00 was the best pH value to prepare very fine nanoparticles. They as synthesized Cu-nanoparticles were used as catalysts for the reduction of aromatic nitro compounds in presence of NaBH4. The results showed that Cu-nanoparticles are very active for reduction of these nitro aromatic compounds.

Keywords: nanoparticles, carrageenan, seaweed, nitro aromatic compound

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Authors: Mariya Dayana, Budhmal Jain

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Kannur International Airport Ltd. (KIAL) is a new Greenfield airport project with airside development on an undulating terrain with an average height of 90m above Mean Sea Level (MSL) and a maximum height of 142m. To accommodate the desired Runway length and Runway End Safety Area (RESA) at both the ends along the proposed alignment, it resulted in 45.5 million cubic meters in cutting and filling. The insufficient availability of land for the construction of free slope embankment at RESA 07 end resulted in the design and construction of Reinforced Soil Slope (RSS) with a maximum slope of 65 degrees. An embankment fill of average 70m height with steep slopes located in high rainfall area is a unique feature of this project. The design and construction was challenging being asymmetrical with curves and bends. The fill was reinforced with high strength Uniaxial geogrids laid perpendicular to the slope. Weld mesh wrapped with coir mat acted as the facia units to protect it against surface failure. Face anchorage were also provided by wrapping the geogrids along the facia units where the slope angle was steeper than 45 degrees. Considering high rainfall received on this table top airport site, extensive drainage system was designed for the high embankment fill. Gabion wall up to 10m height were also designed and constructed along the boundary to accommodate the toe of the RSS fill beside the jeepable track at the base level. The design of RSS fill was done using ReSSA software and verified in PLAXIS 2D modeling. Both slip surface failure and wedge failure cases were considered in static and seismic analysis for local and global failure cases. The site won excavated laterite soil was used as the fill material for the construction. Extensive field and laboratory tests were conducted during the construction of RSS system for quality assurance. This paper represents a case study detailing the design and construction of a very high embankment using geosynthetics for the provision of Runway length and RESA area.

Keywords: airport, embankment, gabion, high strength uniaxial geogrid, kial, laterite soil, plaxis 2d

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Authors: Gulnaz Erkomaishvili

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Introduction: There are some of the biggest technological shifts happening in the modern world. The introduction of digital technologies, information, and communication services has given rise to unprecedented global socio-political and economic changes. The role of digital technologies in increasing productivity and national competitiveness is increasing. Today, it is used in almost every area of the economy. E-commerce, organizational process in computerized management, and digital infrastructure's pace of growth is remarkably high and is a key instrument of economic development. Methodology: Different research methods are applied in the presented paper; statistical, analysis, synthesis, induction, deduction, comparison ones. Works by local and foreign scientists, Ministry of Economy and Sustainable Development, as well as various organizations' studies and reports were used as a theoretical basis for research and variety of laws, government decrees and orders, and the publications of the National Statistics Office of Georgia were used as an informational basis. Conclusions: The paper deals with the processes and challenges in Georgia in the digital economy. Access to current resources in Georgia and current processes are described. Digital technology for the development of the required environmental conditions is described, how the Internet and communications are available for the population in the regions of Georgia. The pros and cons of the digital economy development and its impact on the country's economy are analyzed. The main difficulties of implementation of the digital economy in Georgia, government involvement, and future action plans are presented.

Keywords: digital economy, digital technologies, internet, communications, economic policy

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Authors: Wallia Majeed

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Humidity sensors based on doped ZnO-rGO composites have shown promise due to their sensitivity to humidity changes. Here, it report on the hydrothermal synthesis of ZnO-rGO and doped ZnO-rGO nanocomposites, incorporating cobalt and iron dopants at 2% concentration. X-ray diffraction confirmed successful doping, while scanning electron microscopy revealed the composite's layered structure with embedded ZnO rods. To evaluate their performance, humidity sensors were fabricated by depositing aluminum electrodes on silicon substrates coated with the composites. The Fe-doped ZnO-rGO sensor exhibited rapid response (27 s) and recovery times (24 s) across a wide humidity range (11% to 97% RH), surpassing ZnO-rGO and Co-doped ZnO-rGO variants in sensitivity (2.2k at 100 Hz). These findings highlight Fe-doped ZnO-rGO composites as ideal candidates for humidity sensing applications, offering enhanced performance crucial for environmental monitoring and industrial processes.

Keywords: humidity sensors, nanocomposites, hydrothermal synthesis, sensitivity

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Authors: Ammar Z. Alshemary, Yi-Fan Goh, Rafaqat Hussain

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Magnesium (Mg2+), strontium (Sr2+) and sulphate ions (SO42-) were successfully substituted into hydroxyapatite (Ca10-x-y MgxSry(PO4)6-z(SO4)zOH2-z) structure through ion exchange process at cationic and anionic sites. Mg2+and Sr2+ ions concentrations were varied between (0.00-0.10), keeping concentration of SO42- ions at z=0.05. [Mg (NO3)2], [Sr (NO3)2] and (Na2SO4) were used as Mg2+, Sr2+, and SO42- sources respectively. The synthesized white precipitate were subjected to heat treatment at 500ºC and finally characterized by X-ray diffraction (XRD) and Fourier Transform infra-red spectroscopy (FTIR). The results showed that the substitution of Mg2+, Sr2+ and SO42- ions into the HA lattice resulted in an increase in the broadness and reduction of XRD peaks. This confirmed that the crystallinity was reduced due to the substitution of ions. Similarly, FTIR result showed the effect of substitution on phosphate bands as well as exchange of hydroxyl group by SO42- ions to balance the charges on HA surface.

Keywords: hydroxyapatite, substitution, characterization, XRD, FTIR

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Authors: Stefano Federici, Alessandro Lepri, Antonella Carrera

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Kessler and McKenna in the seventies, and recently Federici and Lepri investigated how an individual attributes gender to a person. By administering nudes of human figures, the scholars have found that the penis more than the vagina and the male sexual characteristics more than the female ones are significantly more salient in the gender attribution process. Federici and Lepri suggested that the asymmetrical salience of sexual characteristics is attributable to evolved decision-making processes for the solution of gender attribution problems to avoid the greatest danger of an (angry) adult male. The present study has observed the behaviour of 60 children, aged between 3 and 6 years, and their parents verifying whether the child gender attribution mechanisms are permeable to cultural stereotypes. The participating children were asked to make a male or a female on a tablet by combining 12 human physical characteristics (long hair, short hair, wide hips, narrow hips, breasts, flat chest, body hair, hairless body, penis, vagina, male face, and female face) and four cloths (male t-shirt, female t-shirt, pants, and skirt) by superimposing one or more of them on a sexually neutral manikin. On the tablet was installed an App, created by authors, to replicate the Kessler and McKenna and Federici and Lepri previous studies. One of the parents of each of the participating children was asked to make a male or a female using the same apparatus used by children. In addition, the participating parents were asked to complete a test, as proposed by Federici and Lepri in their previous study, to compare adult and child processes of gender attribution. The results suggested that children are affected both by evolved mechanisms as adults were (e.g., taking less time to make a male than a female, using the penis more often than the vagina), and by cultural modeling of parental and environmental gender stereotypes (e.g., the genitals were often covered with pants in case the delivery was to make a male and a skirt in the case was to make a female).

Keywords: biological sex, cognitive biases, cultural modeling, gender attribution, evolved decision-making processes

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Authors: Lila A. Alkhattaby, Norah A. Alsayegh, Mohammad S. Ansari, Mohammad O. Ansari

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In this work, we doped zinc oxide ZnO with potassium K we have synthesized using the sol-gel method. Structural properties were depicted by X-ray diffractometer (XRD) and energy distribution spectroscopy, X-ray diffraction studies confirm the nanosized of the particles and favored orientations along the (100), (002), (101), (102), (110), (103), (200), and (112) planes confirm the hexagonal wurtzite structure of ZnO NPs. The optical properties study using the UV-Vis spectroscopy. The band gap decreases from 4.05 eV to 3.88 eV, the lowest band gap at 10% doped concentration. The photoluminescence (PL) spectroscopy results show two main peaks, a sharp peak at ≈ 384 nm in the UV region and a broad peak around 479 nm in the visible region. The highest intensity of the band-edge luminescence was for 2% doped concentration because of the combined effect of the decreased probability of nonradiative recombination and has better crystallinity.

Keywords: K doped ZnO, photoluminescence spectroscopy, UV-Vis spectroscopy, x-ray spectroscopy

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Authors: I. Grigoraviciute-Puroniene, K. Tsuru, E. Garskaite, Z. Stankeviciute, A. Beganskiene, K. Ishikawa, A. Kareiva

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Tricalcium phosphate (β-Ca₃(PO₄)₂, β-TCP) powders were synthesized using wet polymeric precipitation method for the first time to our best knowledge. The results of X-ray diffraction analysis showed the formation of almost single a Ca-deficient hydroxyapatite (CDHA) phase of a poor crystallinity already at room temperature. With continuously increasing the calcination temperature up to 800 °C, the crystalline β-TCP was obtained as the main phase. It was demonstrated that infrared spectroscopy is very effective method to characterize the formation of β-TCP. The SEM results showed that β-TCP solids were homogeneous having a small particle size distribution. The β-TCP powders consisted of spherical particles varying in size from 100 to 300 nm. Fabricated β-TCP specimens were placed to the bones of the rats and maintained for 1-2 months.

Keywords: Tricalcium phosphate (β-Ca3(PO4)2, bone regeneration, wet chemical processing, polymeric precipitation

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Authors: Pirom Thangchitpianpol, Suttipong Jumroonrut

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This research investigates the distribution of food demand for animal food and the optimum amount of that food production at minimum cost. The data consist of customer purchase orders for the food of laying hens, price of food for laying hens, cost per unit for the food inventory, cost related to food of laying hens in which the food is out of stock, such as fine, overtime, urgent purchase for material. They were collected from January, 1990 to December, 2013 from a factory in Nakhonratchasima province. The collected data are analyzed in order to explore the distribution of the monthly food demand for the laying hens and to see the rate of inventory per unit. The results are used in a stochastic linear programming model for aggregate planning in which the optimum production or minimum cost could be obtained. Programming algorithms in MATLAB and tools in Linprog software are used to get the solution. The distribution of the food demand for laying hens and the random numbers are used in the model. The study shows that the distribution of monthly food demand for laying has a normal distribution, the monthly average amount (unit: 30 kg) of production from January to December. The minimum total cost average for 12 months is Baht 62,329,181.77. Therefore, the production planning can reduce the cost by 14.64% from real cost.

Keywords: animal food, stochastic linear programming, aggregate planning, production planning, demand uncertainty

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Authors: Stephen Hernandez, Nikita Sharma

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The Coronavirus disease (COVID-19) emerged as a worldwide pandemic at the beginning of 2020. The pandemic and its impact reached the shores of the United States by the second week of March. Once infections started to grow in numbers, early intervention programs, including those providing home-based services, recognized that to reduce the spread of the virus, many traditional in-person therapeutic interventions were going to be impossible due to social distancing and self-quarantine requirements. Initially, infants, toddlers, and their families were left without any services from their educators and therapists, but within a few weeks of the public health emergency, various states, including New York, approved the use of teletherapy/virtual visits for early intervention service provision. This paper will detail the results of a survey from over 400 E.I. service providers about their experiences utilizing teletherapy to deliver services to children in early intervention programs. The survey questions focused on how did COVID-19 stay-at-home orders impact E.I. services for young children with special needs? Sub-questions included topics such as availability of the parents, the amount of time that babies remained engaged, as well as the perceived success of teletherapy as a viable option to provide service by both parent and professional. The results of this study found that therapists found teletherapy to be a viable manner of providing services and could be very effective on a case by case basis.

Keywords: early intervention, teletheraphy, telehealth, COVID-19

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Authors: Wega Trisunaryanti, Hesty Kusumastuti, Iip Izul Falah, Muhammad Fajar Marsuki, Rahmad Nuryanto

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Synthesis of Ni supported on mesopore silica-alumina (MSA) for hydrocracking of pyrolyzed α-cellulose had been carried out. The silica and alumina were extracted from Sidoarjo mud. Gelatin from catfish bone was used as a template for the mesopore design. The MSA was synthesized by using hydrothermal method at 100 °C for 24 h and calcined at 550 °C for 4 h then characterized by using X-Ray Diffraction Spectrometer (XRD) and Nitrogen Gas Sorption Analyzer (GAS). The Ni metal was loaded to the MSA by wet impregnation method. The catalytic activity in the hydrocracking reaction of pyrolyzed α-cellulose was carried out at 450 °C for 2 h. The MSA synthesized in this work is an amorphous material with specific surface area, total pore volume, and average pore diameter of 212.29 m²/g, 1.29 cm³/g, and 20.05 nm, respectively. The Ni/MSA catalyst produced 73.02 wt.% of liquid product in hydrocracking of pyrolyzed α-cellulose.

Keywords: catalyst, gelatin, hydrocracking, mesopore silica-alumina, α-cellulose

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Authors: N. Tugrul, A. S. Kipcak, E. Moroydor Derun, S. Piskin

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Zinc borate is an important boron compound that can be used as multi-functional flame retardant additive due to its high dehydration temperature property. In this study, the raw materials of ZnSO4.7H2O, NaOH and H3BO3 were characterized by X-Ray Diffraction (XRD) and Fourier Transform Infrared Spectroscopy (FT-IR) and used in the synthesis of zinc borates. The synthesis parameters were set to 100°C reaction temperature and 120 minutes of reaction time, with different molar ratio of starting materials (ZnSO4.7H2O:NaOH:H3BO3). After the zinc borate synthesis, the identifications of the products were conducted by XRD and FT-IR. As a result, Zinc Oxide Borate Hydrate [Zn3B6O12.3.5H2O], were synthesized at the molar ratios of 1:1:3, 1:1:4, 1:2:5 and 1:2:6. Among these ratios 1:2:6 had the best results.

Keywords: Zinc borate, ZnSO4.7H2O, NaOH, H3BO3, XRD, FT-IR

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Authors: Jannes Quer, Amir Niknejad, Marcus Weber

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Computational Drug Design is often based on Molecular Dynamics simulations of molecular systems. Molecular Dynamics can be used to simulate, e.g., the binding and unbinding event of a small drug-like molecule with regard to the active site of an enzyme or a receptor. However, the time-scale of the overall binding event is many orders of magnitude longer than the time-scale of simulation. Thus, there is a need to speed-up molecular simulations. In order to speed up simulations, the molecular dynamics trajectories have to be ”steared” out of local minimizers of the potential energy surface – the so-called metastabilities – of the molecular system. Increasing the kinetic energy (temperature) is one possibility to accelerate simulated processes. However, with temperature the entropy of the molecular system increases, too. But this kind ”stearing” is not directed enough to stear the molecule out of the minimum toward the saddle point. In this article, we give a new mathematical idea, how a potential energy surface can be changed in such a way, that entropy is kept under control while the trajectories are still steared out of the metastabilities. In order to compute the unsteared transition behaviour based on a steared simulation, we propose to use extrapolation methods. In the end we mathematically show, that our method accelerates the simulations along the direction, in which the curvature of the potential energy surface changes the most, i.e., from local minimizers towards saddle points.

Keywords: extrapolation, Eyring-Kramers, metastability, multilevel sampling

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Authors: Djelloul Addad, Fatiha Belkhadem Mokhtari

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The objective of this work is to study the retention of methylene blue (MB) by biomass. The Biomass is characterized by X-ray diffraction (XRD), infrared absorption (IRTF). Results show that the biomass contains organic and mineral substances. The effect of certain physicochemical parameters on the adsorption of MB is studied (effect of the pH). This study shows that the increase in the initial concentration of MB leads to an increase in the adsorbed quantity. The adsorption efficiency of MB decreases with increasing biomass mass. The adsorption kinetics show that the adsorption is rapid, and the maximum amount is reached after 120 min of contact time. It is noted that the pH has no great influence on the adsorption. The isotherms are best modelled by the Langmuir model. The adsorption kinetics follow the pseudo-second-order model. The thermodynamic study of adsorption shows that the adsorption is spontaneous and exothermic.

Keywords: dyes, adsorption, biomass, methylene blue, langmuir

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Authors: Muhammad Jamil, Ning He, Wei Zhao

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It is a rough estimation that the aerospace companies received orders of 37000 new aircraft, including the air ambulances, until 2037. And titanium alloys have a 15% contribution in modern aircraft's manufacturing owing to the high strength/weight ratio. Despite their application in the aerospace and medical equipment manufacturing industry, still, their high-speed machining puts a challenge in terms of tool wear, heat generation, and poor surface quality. Among titanium alloys, Ti-6Al-4V is the major contributor to aerospace application. However, its poor thermal conductivity (6.7W/mK) accumulates shear and friction heat at the tool-chip interface zone. To dissipate the heat generation and friction effect, cryogenic cooling, Minimum quantity lubrication (MQL), nanofluids, hybrid cryogenic-MQL, solid lubricants, etc., are applied frequently to underscore their significant effect on improving the machinability of Ti-6Al-4V. Nowadays, hybrid lubri-cooling is getting attention from researchers to explore their effect regarding the hard-to-cut Ti-6Al-4V. Therefore, this study is devoted to exploring the effect of hybrid ethanol-ester oil MQL regarding the cutting temperature, surface integrity, and tool life. As the ethanol provides -OH group and ester oil of long-chain molecules provide a tribo-film on the tool-workpiece interface. This could be a green manufacturing alternative for the manufacturing industry.

Keywords: hybrid lubri-cooling, surface roughness, tool wear, MQL

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Authors: Azadeh Farzaneh, Mohammad Reza Abdi, A. Quaranta, Matteo Dalla Palma, Seyedshahram Mortazavi

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We report on the synthesis of cesium-iodide nanoparticles using sol-gel technique. The structural properties of CsI nanoparticles were characterized by X-ray diffraction and Scanning Electron Microscope (SEM) Also, optical properties were followed by optical absorption and UV–vis fluorescence. Intense photoluminescence is also observed, with some spectral tuning possible with ripening time getting a range of emission photon wavelength approximately from 366 to 350 nm. The size effect on CsI luminescence leads to an increase in scintillation light yield, a redshift of the emission bands of the on_center and off_center self_trapped excitons (STEs) and an increase in the contribution of the off_center STEs to the net intrinsic emission yield. The energy transfer from the matrix to CsI nanoparticles is a key characteristic for scintillation detectors. So the scintillation spectra to alpha particles of sample were monitored.

Keywords: nanoparticles, luminescence, sol gel, scintillator

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Authors: Shaeel A. Al Thabaiti, Sulaiman N. Basahel, Salem M. Bawaked, Mohamed Mokhtar

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Nanosheets for cobalt-layered double hydroxide (Co-Al-LDH)/GO were successfully synthesized with different Co:M g:Al ratios (0:3:1, 1.5:1.5:1, and 3:0:1). The layered double hydroxide structure and morphology were determined using x-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM). Temperature prgrammed reduction (TPR) of Co-Al-LDH showed reduction peaks at lower temperature which indicates the ease reducibility of this particular sample. The thermal behaviour was studied using thermal graviemetric technique (TG), and the BET-surface area was determined using N2 physisorption at -196°C. The C-C coupling reaction was carried out over all the investigated catalysts. The Mg–Al LDH catalyst without Co ions is inactive, but the isomorphic substitution of Mg by Co ions (Co:Mg:Al = 1.5:1.5:1) in the cationic sheet resulted in 88% conversion of iodobenzene under reflux. LDH/GO hybrid is up to 2 times higher activity than for the unsupported LDH.

Keywords: adsorption, co-precipitation, graphene oxide, layer double hydroxide

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Authors: Khansaa Al-Essa

Abstract:

Nanosized ceria (CeO₂) and graphitic carbon nitride-loaded ceria (CeO₂/GCN) nanocomposite have been synthesized by the coprecipitation method and studied its photocatalytic activity for methyl red degradation under Visible type radiation. A phase formation study was carried out by using an x-ray diffraction technique, and it revealed that ceria (CeO₂) is properly supported on the surface of GCN. Ceria nanoparticles and CeO₂/GCN nanocomposite were confirmed by transmission electron microscopy technique. The particle size of the CeO₂, CeO₂/GCN nanocomposite is in the range of 10-15 nm. Photocatalytic activity of the CeO₂/g-C3N4 composite was improved as compared to CeO₂. The enhanced photocatalytic activity is attributed to the increased visible light absorption and improved adsorption of the dye on the surface of the composite catalyst.

Keywords: photodegradation, dye, nanocomposite, graphitic carbon nitride-CeO₂

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Authors: Shimaa M. Elsaeed, Reem K. Farag, Ibrahim M. Nassar

Abstract:

Hydrogel conductive polymer nanocomposite fabricated via in-situ polymerization of polyaniline (PANI) inside thermosensitive hydrogels based on hydroxy ethyl meth acrylate (HEMA) copolymer with 2-acrylamido-2-methyl propane sulfonic acid (AMPS). SEM micrographs show the nanometric size of the conductive material (polyaniline, PANI) dispersed in the hydrogel matrix. The swelling parameters of hydrogel are measured. The incorporation of PANI improves the mechanical properties and swelling up to 30,000% without breaking. X-ray diffraction shows that typical polyaniline crystallization is formed in composite, which is advantageous to increase the electrical conductivity of the composite hydrogel. Open-circuit voltage (I-V) curve fill factor of the highest photo-conversion efficiency and enhanced to use in solar cell.

Keywords: hydrogel, solar cell, conductive polymer, nanocomposite

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Authors: Smail Chafaa, Abdelkrim Si Bachir

Abstract:

Our work aims to study the insect diversity based on bioclimatic levels of pests in olive cultures (Olea europea L.) in the area of Batna (arid and semi arid north eastern Algeria) during the period from January 2011 to May 2011. Several sampling techniques were used, those of hunting on sight, visual inspection, hatches traps, colored traps, Japanese umbrella and sweep net. We have identified in total, 2311 individuals with results in inventory 206 species divided to 74 families and 11 orders, including Coleoptera order is quantitatively the most represented with 47.1%. The most dominant diet in our inventory is the phytophagous. Between the herbivorous insects that we have listed and which are the main olive pest of olive cultivation; we quote the olive fly (Bactrocera oleae), cochineal purple olive (Parlatoria oleae) the psyllid olive (Euphyllura olivina) and olive Trips (Liothrips oleae). The distribution of species between stations shows that Boumia resort with the most number of species (113) compared to other resorts and beetles are also better represented in three groves. Total wealth is high in Boumia station compared with the others stations. The values of (H') exceeding 3.9 bits for all the stations studied indicate a specific wealth and diversity of ecological nests in insect species. The values of equitability are near the unit; that suggests a balance between the numbers of insect populations sampled in the various stations.

Keywords: entomology, olive, grove, batna, Algeria

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Authors: Yen-Sheng Ho

Abstract:

It is important to actively adjust the legal system of land use in archaeological sites and the reward system to meet the needs of modern society and to solve the dilemma of government management. Under the principle of administration according to law and the principle of the clarity of law, human rights, legal orders and legitimate expectation shall be regulated. The Cultural Heritage Preservation Act has many norms related to archaeological sites in Taiwan. However, in practice, the preservation of archaeological sites still encounters many challenges. For instance, some archaeological sites have ‘management and maintenance plans’. The restrictions of land uses are not clearly defined making it difficult to determine how planting types and cultivation methods will impact the underground relics. In addition, there are questions as follows. How to coordinate the ‘site preservation plan’ with the Regional Planning Act and the Urban Planning Act? How to define preservation of land, preservation area and other uses of land or area? How to define land use in practice? How to control land use? After selecting three sites for the case investigation, this study will analyze the site’s land use status and propose the direction of land use and control methods. This study suggests that the prerequisite to limit the use of land is to determine the public interest in the preservation of the site. Another prerequisite is to establish a mechanism for permitting the use of the site and for setting the site preservation and zoning maintenance practices according to the Regional Planning Act, Urban Planning Act and other relevant rules, such as, land use zoning, land use control, land management, land maintenance, regional development and management and etc.

Keywords: archaeological site, land use and site preservation plan, regional planning, urban planning

Procedia PDF Downloads 273