Search results for: materials chemistry

Authors: Yaser Maher Abdel Aziz Hawa

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An assemblage of Mn-bearing ilmenite, titanomagnetite (4-17 vol.%) and subordinate chalcopyrite, pyrrhptite and pyrite is present as dissiminations in gabbroic rocks of Abu Ghalaga area, Eastern Desert, Egypt. The neoproterozoic gabbroic rocks encompasses these opaques are emplaced during oceanic island arc stage which represents the Nubian shield of Egypt. However, some textural features of these opaques suggest a relict igneous. The high Mn (up to 5.8 MnO%, 1282% MnTiO3) and very low Mg contents (0.21 MgO%, 0.82 MgTiO3) are dissimilar to those of any igneous ilmenite of tholeiitic rocks. Most of these ilmenites are associated mostly with metamorphic hornblende. Hornblende thermometry estimate crystallization of about 560°C. the present study suggests that the ilmenite under consideration has been greatly metamorphically modified, having lost Mg and gained Mn by diffusion.

Keywords: titanomagnetite, Ghalaga, ilmenite, chemistry

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Authors: T. Vijayashree, A. Gopal

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The aim of the work is to classify and authenticate medicinal plant materials and herbs widely used for Indian herbal medicinal preparation. The quality and authenticity of these raw materials are to be ensured for the preparation of herbal medicines. These raw materials are to be carefully screened, analyzed and documented due to mistaken of look-alike materials which do not have medicinal characteristics.

Keywords: authenticity, standardization, principal component analysis, imaging processing, signal processing

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Authors: Chen-Fu Wang, Lin-Ya Kung

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For traditional painting materials, the artisan used to combine the pigments with different binders to create colors. As time goes by, the materials used for painting evolved from natural to chemical materials. The vast variety of ingredients used in chemical materials has complicated restoration work; it makes conservation work more difficult. Conservation work also becomes harder when the materials cannot be easily identified; therefore, it is essential that we take a more scientific approach to assist in conservation work. Paintings materials are high molecular weight polymer, and their analysis is very complicated as well other contamination such as smoke and dirt can also interfere with the analysis of the material. The current methods of composition analysis of painting materials include Fourier transform infrared spectroscopy (FT-IR), mass spectrometer, Raman spectroscopy, X-ray diffraction spectroscopy (XRD), each of which has its own limitation. In this study, FT-IR was used to analyze the components of the paint coating. We have taken the most commonly seen materials as samples and deteriorated it. The aged information was then used for the database to exam the temple painting materials. By observing the FT-IR changes over time, we can tell all of the painting materials will be deteriorated by the UV light, but only the speed of its degradation had some difference. From the deterioration experiment, the acrylic resin resists better than the others. After collecting the painting materials aging information on FT-IR, we performed some test on the paintings on the temples. It was found that most of the artisan used tune-oil for painting materials, and some other paintings used chemical materials. This method is now working successfully on identifying the painting materials. However, the method is destructive and high cost. In the future, we will work on the how to know the painting materials more efficiently.

Keywords: temple painting, painting material, conservation, FT-IR

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Authors: Kirstin Burger, Paul Watts, Nicole Vorster

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Green chemistry focuses on synthesis which has a low negative impact on the environment. This research focuses on synthesizing novel compounds from an all-natural Eucalyptus citriodora oil. Eight novel plasticizer compounds are synthesized and optimized using flow chemistry technology. A precursor to one novel compound can be synthesized from the lauric acid present in coconut oil. Key parameters, such as catalyst screening and loading, reaction time, temperature, residence time using flow chemistry techniques is investigated. The compounds are characterised using GC-MS, FT-IR, 1H and 13C-NMR techniques, X-ray crystallography. The efficiency of the compounds is compared to two commercial plasticizers, i.e. Dibutyl phthalate and Eastman 168. Several PVC-plasticized film formulations are produced using the bio-based novel compounds. Tensile strength, stress at fracture and percentage elongation are tested. The property of having increasing plasticizer percentage in the film formulations is investigated, ranging from 3, 6, 9 and 12%. The diastereoisomers of each compound are separated and formulated into PVC films, and differences in tensile strength are measured. Leaching tests, flexibility, and change in glass transition temperatures for PVC-plasticized films is recorded. Research objective includes using these novel compounds as a green bio-plasticizer alternative in plastic products for infants. The inhibitory effect of the compounds on six pathogens effecting infants are studied, namely; Escherichia coli, Staphylococcus aureus, Shigella sonnei, Pseudomonas putida, Salmonella choleraesuis and Klebsiella oxytoca.

Keywords: bio-based compounds, plasticizer, tensile strength, microbiological inhibition , synthesis

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Authors: Alice D. Dioquino, Olivia N. Buzon, Emilio F. Aguinaldo, Ruel Avila, Erwin R. Callo, Cristy Ocampo, Malvin R. Tabajen, Marla C. Papango, Marilou M. Ubina, Josephine Tondo, Cromwell L. Valeriano

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The main purpose of this study was to develop, evaluate and validate courseware on Selected Topics in Mathematics, Science, and the English Language. Specifically, it aimed to: 1. Identify the appropriate Instructional Systems Design (ISD) model in the development of the courseware material; 2. Assess the courseware material according to its: a. Content Characteristics; b. Instructional Characteristics; and c. Technical Characteristics 3. Find out if there is a significant difference in the performance of students before and after using the tutorial CAI. This research is developmental as well as a one group pretest-posttest design. The study had two phases. Phase I includes the needs analysis, writing of lessons and storyboard by the respective experts in each field. Phase II includes the digitization or the actual development of the courseware by the faculty of the ICT department. In this phase it adapted an instructional systems design (ISD) model which is the ADDIE model. ADDIE stands for Analysis, Design, Development, Implementation and Evaluation. Formative evaluation was conducted simultaneously with the different phases to detect and remedy any bugs in the courseware along the areas of content, instructional and technical characteristics. The expected output are the digitized lessons in Algebra, Biology, Chemistry, Physics and Communication Arts in English. Students and some IT experts validated the CAI material using the Evaluation Form by Wong & Wong. They validated the CAI materials as Highly Acceptable with an overall mean rating of 4.527and standard deviation of 0 which means that they were one in the ratings they have given the CAI materials. A mean gain was recorded and computing the t-test for dependent samples it showed that there were significant differences in the mean achievement of the students before and after the treatment (using CAI). The identified ISD model used in the development of the tutorial courseware was the ADDIE model. The quantitative analyses of data based on ratings given by the respondents’ shows that the tutorial courseware possess the characteristics and or qualities of a very good computer-based courseware. The ratings given by the different evaluators with regard to content, instructional, and technical aspects of the Tutorial Courseware are in conformity towards being excellent. Students performed better in mathematics, biology chemistry, physics and the English Communication Arts after they were exposed to the tutorial courseware.

Keywords: CAI, tutorial courseware, Instructional Systems Design (ISD) Model, education

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Authors: J. Kosikova, B. Vacenovska, M. Vyhnankova

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The paper reports on the subject of recycling and further use of secondary raw materials obtained from solar panels, which is becoming a very up to date topic in recent years. Recycling these panels is very difficult and complex, and the use of resulting secondary raw materials is still not fully resolved. Within the research carried out at the Brno University of Technology, new polymer materials used for industrial floors are being developed. Secondary raw materials are incorporated into these polymers as fillers. One of the tested filler materials was glass obtained from solar panels. The following text describes procedures and results of the tests that were performed on these materials, confirming the possibility of the use of solar panel glass in industrial polymer flooring systems.

Keywords: fillers, industrial floors, recycling, secondary raw material, solar panel

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Authors: J. Zach, J. Hroudova, J. Brozovsky

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Thermal insulation materials based on natural fibers represent a very promising area of materials based on natural easy renewable row sources. These materials may be in terms of the properties of most competing synthetic insulations, but show somewhat higher moisture sensitivity and thermal insulation properties are strongly influenced by the density and orientation of fibers. The paper described the problem of hygrothermal behavior of thermal insulation materials based on natural plant and animal fibers. This is especially the dependence of the thermal properties of these materials on the type of fiber, bulk density, temperature, moisture and the fiber orientation.

Keywords: thermal insulating materials, hemp fibers, sheep wool fibers, thermal conductivity, moisture

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Authors: Ratna Elizabeth

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Motivation is a very important factor since it contributes a lot to the students’ success in learning a language. Using authentic materials is believed as a mean of increasing the motivation. The materials define as authentic if they are not specifically written for the purpose of language teaching. They are genuine spoken or written language data which are drawn from many different sources. The intention of this study is to investigate the impact of using of authentic materials on students’ motivation. A single case study is conducted to the grade 9 students who learn Indonesian Language as a Foreign Language (ILFL) at an international school in Jakarta, Indonesia. Questionnaires are also distributed to the students to know their perceptions on the using of authentic materials. The results show that the using of authentic materials has increased the students’ motivation in learning the language.

Keywords: authentic materials, ILFL, language learning, motivation

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Authors: Saman Hajmohamadi, Sohrab Hajmohamadi

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The objectives of this experiment were to investigate the application of new ligands including different atoms and evaluation of their nucleophile effects against various metals. Chemistry researchers are really interested in this field. From among various ligands, there are some ligands with different coordinating ligands as well. There are great number of intermediate complexes and major elements of organic compositions with various atoms. There is a regular adding of new compositions. Complexes are the most important chemical combinations with various catalysts and biological, medicinal and other applications. Those complexes with ligands including different atom givers are really important and their synthesis could solve most of chemical problems. Supplying of new ligands is an important and key part of coordination chemistry which may cause some varieties and different properties in complexes with equal central nucleus. As a result, this research has evaluated new ligands including different coordination atoms, such as oxygen, nitrogen etc. along with their behavior against various metals like copper, nickel, iron etc.

Keywords: ligands, nucleophile, iron, cobalt, copper

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Authors: Margareta Rahayuningsih, Siti Alimah, Novita Hermayani, Misbahul Munir

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Wreathed Hornbill (Rhycticeros undulatus) was a protected bird that we can found in Mount Ungaran. It is known that the bird have been breeding and nesting on the mountain. The objective of the research was to analysis the materials composition of the Wreathed Hornbill nest wall plaster. The study was carried out in Curug Lawe and Gunung Gentong, Mount Ungaran Central Java. Nest wall plaster samples were collected from nest cavities were used by hornbill but after they left from the nest. The nest tree species on Gunung Gentong was Syzygium antisepticum and Syzigium glabratum on Curug Lawe. Materials analysis used proximate analysis and have been done on Chemistry Laboratory of Semarang State University. The result of proximate analysis showed that the material composition of nest wall plaster such as water, proteins. lipid, carbohydrate, and ash between Curug Lawe and Gunung Gentong was different. Except Carbohidrate, the highest componen showed in the nest wall plaster on Gunung Gentong.

Keywords: Mount Ungaran, nest cover entrance, Rhyticeros undulatus, proximate analysis

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Authors: Agnieszka Fryźlewicz, Jowita Kras, Mikołaj Sadowski, Agnieszka Łapczuk-Krygier, Agnieszka Kącka-Zych Radomir Jasiński

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Nicotines are a group of compounds containing conjugated pyridine and pyrrolidine molecular segments. They are widely applied in medicine, pharmacy, and agriculture. Namely as researched treatment of Alzheimer, depression, Parkinson's, Tourette syndrome, general nervous and mental disorders. Furthermore, nicotine itself is used as a stimulant, animal repellent and was widely applied as an insecticide. In our work, we obtained nicotine analogues with possible applications in agriculture. The synthesis employed [3+2] cycloaddition (32CA) reactions, occurring between pirydyl-functionalised nitrones and conjugated nitroalkenes, that allowed us to fully regio- and stereoselectively obtain product. Moreover, cycloaddition reaction realizes rapidly in mild conditions with the full atomic economy, thus fitting into “green chemistry” trends.

Keywords: nicotine, isoxazolidine, 1-3-dipolar cycloaddition, green chemistry, biological and pharmacological activity

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Authors: Jiao Li

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Language teachers have been expected to play diversified new roles in times of educational changes. Considering the critical role that materials play in teaching and learning, language teachers have been increasingly involved in developing materials. Using identity as an analytic lens, this study aims to explore language teachers’ experiences as materials developers in China, focusing on the challenges they face and responses to them. It will adopt a multimethod approach. At the first stage, about 12 language teachers who have developed or are developing materials will be interviewed to have a broad view of their experiences. At the second stage, three language teachers who are developing materials will be studied by collecting interview data, policy documents, and data obtained from online observation of their group meetings so as to gain a deeper understanding of their experiences in materials development. It is expected that this study would have implications for teacher development, materials development, and curriculum development as well.

Keywords: educational changes, teacher development, teacher identity, teacher learning, materials development

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Authors: Usama Mohamed, Sam Booth, Aliysn J. Nedoma

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As part of the transition to electric vehicles, there has been a recent increase in demand for battery manufacturing. Cathodes typically account for approximately 50% of the total lithium-ion battery cell cost and are a pivotal factor in determining the viability of new industrial infrastructure. Cathodes which offer lower costs whilst maintaining or increasing performance, such as nickel-rich layered cathodes, have a significant competitive advantage when scaling up the manufacturing process. This project evaluates the techno-economic value proposition of an integrated industrial scale cathode active material (CAM) production process, closing the mass and energy balances, and optimizing the operation conditions using a sensitivity analysis. This is done by developing a process model of a co-precipitation synthesis route using Aspen Plus software and validated based on experimental data. The mechanism chemistry and equilibrium conditions were established based on previous literature and HSC-Chemistry software. This is then followed by integrating the energy streams, adding waste recovery and treatment processes, as well as testing the effect of key parameters (temperature, pH, reaction time, etc.) on CAM production yield and emissions. Finally, an economic analysis estimating the fixed and variable costs (including capital expenditure, labor costs, raw materials, etc.) to calculate the cost of CAM ($/kg and $/kWh), total plant cost ($) and net present value (NPV). This work sets the foundational blueprint for future research into sustainable industrial scale processes for CAM manufacturing.

Keywords: cathodes, industrial production, nickel-rich layered cathodes, process modelling, techno-economic analysis

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Authors: Oghenerukome Akponovo, Lynda I. Onyebuchukwu

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Construction waste, along with that of many other industries, contributes significantly to the world's annual solid waste totals. Most of these materials, such as ash from rice hulls, slags, cement kiln dust, tire ash, plastic waste (PW), and silica fumes, end up in landfills or waterways. Some of them might even end up polluting the air from high in the atmosphere. It's sustainable, cheap, and environmentally friendly to recycle these items into new building supplies. When constructing a "Green" structure, the materials employed have the potential to either exacerbate environmental imbalance or maintain a stable ecosystem. The purpose of this research is to take stock of what is already known about recycling's potential in the construction industry and to identify its deficiencies. Therefore, this study systematically reviews the wide range of recycled materials that go into building construction. Recognizing that the construction industry's use of recycled materials has an influence on the environment and that investigating these materials may have a substantial economic impact if they were discovered

Keywords: building, construction, recycled materials, waste management

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Authors: Emily Rabe, Stephanie Candelaria, Rachel Malone, Olivia Lenz, Greg Newbloom

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Electrodialysis (ED) is a well-developed technology for ion removal in a variety of applications. However, many industries generate harsh wastewater streams that are incompatible with traditional ion exchange membranes. Membrion® has developed novel ceramic-based ion exchange membranes (IEMs) offering several advantages over traditional polymer membranes: high performance in low pH, chemical resistance to oxidizers, and a rigid structure that minimizes swelling. These membranes are synthesized with our patented silane-based sol-gel techniques. The pore size, shape, and network structure are engineered through a molecular self-assembly process where thermodynamic driving forces are used to direct where and how pores form. Either cationic or anionic groups can be added within the membrane nanopore structure to create cation- and anion-exchange membranes. The ceramic IEMs are produced on a roll-to-roll manufacturing line with low-temperature processing. Membrane performance testing is conducted using in-house permselectivity, area-specific resistance, and ED stack testing setups. Ceramic-based IEMs show comparable performance to traditional IEMs and offer some unique advantages. Long exposure to highly acidic solutions has a negligible impact on ED performance. Additionally, we have observed stable performance in the presence of strong oxidizing agents such as hydrogen peroxide. This stability is expected, as the ceramic backbone of these materials is already in a fully oxidized state. This data suggests ceramic membranes, made using sol-gel chemistry, could be an ideal solution for acidic and/or oxidizing wastewater streams from processes such as semiconductor manufacturing and mining.

Keywords: ion exchange, membrane, silane chemistry, nanostructure, wastewater

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Authors: Waratthaya Maneerattana, Piyarat Dornbundit

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The study aimed to develop flipped classroom in Chemistry on ‘acid-base’ for high school students and study efficiency of students on academic achievement and problem-solving skills. The evaluating result from the experts showed that developed flipped classroom was ranked in high score level. The flipped classroom efficiency E1/E2 was higher than the criteria of 70/70. The flipped classroom was used by 24 students in grade 11 in the second semester of the academic year 2016 at Bodindecha (Sing Singhaseni) School. Sampling group was chosen using a purposive sampling approach. The results revealed that academic achievement and problem solving skills of students after studying flipped classroom was significantly higher at .05 level.

Keywords: flipped classroom, acid-base, academic achievement, problem solving skill

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Authors: Ali Rahnamoun, Adri van Duin

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The concept of high velocity particle impact on the spacecraft surface materials has been one of the important issues in the design of such materials. Among these particles, water clusters might be the most abundant and the most important particles to be studied. The importance of water clusters is that upon impact on the surface of the materials, they can cause damage to the material and also if they are sub-cooled water clusters, they can attach to the surface of the materials and cause ice accumulation on the surface which is very problematic in spacecraft and also aircraft operations. The dynamics of the collisions between amorphous silica structures and water clusters with impact velocities of 1 km/s to 10 km/s are studied using the ReaxFF reactive molecular dynamics simulation method. The initial water clusters include 150 water molecules and the water clusters are collided on the surface of amorphous fully oxidized and suboxide silica structures. These simulations show that the most abundant molecules observed on the silica surfaces, other than reflecting water molecules, are H3O+ and OH- for the water cluster impacts on suboxide and fully oxidized silica structures, respectively. The effect of impact velocity on the change of silica mass is studied. At high impact velocities the water molecules attach to the silica surface through a chemisorption process meaning that water molecule dissociates through the interaction with silica surface. However, at low impact velocities, physisorbed water molecules are also observed, which means water molecule attaches and accumulates on the silica surface. The amount of physisorbed waters molecules at low velocities is higher on the suboxide silica surfaces. The evolution of the temperatures of the water clusters during the collisions indicates that the possibility of electron excitement at impact velocities less than 10 km/s is minimal and ReaxFF reactive molecular dynamics simulation can predict the chemistry of these hypervelocity impacts. However, at impact velocities close to 10 km/s the average temperature of the impacting water clusters increase to about 2000K, with individual molecules oocasionally reaching temperatures of over 8000K and thus will be prudent to consider the concept of electron excitation at these higher impact velocities which goes beyond the current ReaxFF ability.

Keywords: spacecraft materials, hypervelocity impact, reactive molecular dynamics simulation, amorphous silica

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Authors: Rahul Madathiparambil Visalakshan, Alex Cavallaro, John Hayball, Krasimir Vasilev

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The role of biomaterial surface nanotopograhy on fibrinogen adsorption and unfolding, and the subsequent immune response were studied. Inconsistent topography and varying chemical functionalities along with a lack of reproducibility pose a challenge in determining the specific effects of nanotopography or chemistry on proteins and cells. It is important to have a well-defined nanotopography with a homogeneous chemistry to study the real effect of nanotopography on biological systems. Therefore, we developed a technique that can produce well-defined and highly reproducible topography to identify the role of specific roughness, size, height and density with the presence of homogeneous chemical functionality. Using plasma polymerisation of oxazoline monomers and immobilized gold nanoparticles we created surfaces with an equal number density of nanoparticles of different sizes. This surface was used to study the role of surface nanotopography and the interplay of surface chemistry on proteins and immune cells. The effect of nanotopography on fibrinogen adsorption was investigated using Quartz Cristal Microbalance with Dissipation and micro BCA. The mass of fibrinogen adsorbed on the surface increased with increasing size of nano-topography. Protein structural changes up on adsorption to the nano rough surface was studied using circular dichroism spectroscopy. Fibrinogen unfolding varied depending on the specific nanotopography of the surfaces. It was revealed that the in vitro immune response to the nanotopography surfaces changed due to this protein unfolding.

Keywords: biomaterial inflammation, protein and cell responses, protein unfolding, surface nanotopography

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Authors: Yiwen Jin, Jing Xiao, Pinfang Su

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The idea of adapting authentic materials in language teaching is from the communicative method in the 1970s. Different from the language in language textbooks, authentic materials is not deliberately written, it is from the native speaker’s real life and contains real information, which can meet social needs. It could improve learners ' interest, create authentic context and improve learners ' communicative competence. Authentic materials play an important role in CFL（Chinese as a foreign language） classroom. Different types of authentic materials can be used in different ways during learning and teaching. Because of the COVID-19 pandemic，a lot of Chinese learners are learning Chinese without the real language environment. Although there are some well-written textbooks, there is a certain distance between textbook language materials and daily life. Learners cannot automatically fill this gap. That is why it is necessary to apply authentic materials as a supplement to the language textbook to create the real context. Chinese teachers around the world are working together, trying to integrate the resources and apply authentic materials through different approach. They apply authentic materials in the form of new textbooks, manuals, apps and short videos they collect and create to help Chinese learning and teaching. A review of previous research on authentic materials and the Chinese teachers’ attempt to adapt it in the classroom are offered in this manuscript.

Keywords: authentic materials, Chinese as a second language, developmental use of digital resources, materials development for language teaching

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Authors: Sri Sharath Kulkarni, Pauline Janssen, Alberto Berardi, Bastiaan Dickhoff, Sander van Gessel

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Blending is a common process in the production of pharmaceutical dosage forms where the high shear is used to obtain a homogenous dosage. The shear required can lead to uncontrolled attrition of excipients and affect API’s. This has an impact on the performance of the formulation as this can alter the structure of the mixture. Therefore, it is important to understand the driving mechanisms for attrition. The aim of this study was to increase the fundamental understanding of the attrition behavior of excipients. Attrition behavior of the excipients was evaluated using a high shear blender (Procept Form-8, Zele, Belgium). Twelve pure excipients are tested, with morphologies varying from crystalline (sieved), granulated to spray dried (round to fibrous). Furthermore, materials include lactose, microcrystalline cellulose (MCC), di-calcium phosphate (DCP), and mannitol. The rotational speed of the blender was set at 1370 rpm to have the highest shear with a Froude (Fr) number 9. Varying blending times of 2-10 min were used. Subsequently, after blending, the excipients were analyzed for changes in particle size distribution (PSD). This was determined (n = 3) by dry laser diffraction (Helos/KR, Sympatec, Germany). Attrition was found to be a surface phenomenon which occurs in the first minutes of the high shear blending process. An increase of blending time above 2 mins showed no change in particle size distribution. Material chemistry was identified as a key driver for differences in the attrition behavior between different excipients. This is mainly related to the proneness to fragmentation, which is known to be higher for materials such as DCP and mannitol compared to lactose and MCC. Secondly, morphology also was identified as a driver of the degree of attrition. Granular products consisting of irregular surfaces showed the highest reduction in particle size. This is due to the weak solid bonds created between the primary particles during the granulation process. Granular DCP and mannitol show a reduction of 80-90% in x10(µm) compared to a 20-30% drop for granular lactose (monohydrate and anhydrous). Apart from the granular lactose, all the remaining morphologies of lactose (spray dried-round, sieved-tomahawk, milled) show little change in particle size. Similar observations have been made for spray-dried fibrous MCC. All these morphologies have little irregular or sharp surfaces and thereby are less prone to fragmentation. Therefore, products containing brittle materials such as mannitol and DCP are more prone to fragmentation when exposed to shear. Granular products with irregular surfaces lead to an increase in attrition. While spherical, crystalline, or fibrous morphologies show reduced impact during high shear blending. These changes in size will affect the functionality attributes of the formulation, such as flow, API homogeneity, tableting, formation of dust, etc. Hence it is important for formulators to fully understand the excipients to make the right choices.

Keywords: attrition, blending, continuous manufacturing, excipients, lactose, microcrystalline cellulose, shear

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Authors: Archana Gupta, Rajesh Kumar

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The chemistry of chalcones has generated intensive scientific studies throughout the world. Especially, interest has been focused on the synthesis and biodynamic activities of chalcones. The blue light transmittance, excellent crystallizability and the two planar rings connected through a conjugated double bond show that chalcone derivatives are superior nonlinear organic compounds. 3-(2-Chloro-6-fluoro¬phen¬yl)-1-(2-thien¬yl) prop-2-en-1-one, 3-(2, 4- Dichlorophenyl) – 1 - (4-methylphenyl) – prop -2-en-1-one, (2E)-3-[4-(methylsulfanyl) phenyl]-1-(4-nitrophenyl) prop-2-en-1-one are some chalcone derivatives exhibiting non linear optical (NLO) properties. NLO materials have been extensively investigated in recent years as they are the key elements for photonic technologies of optical communication, optical interconnect oscillator, amplifier, frequency converter etc. Due to their high molecular hyperpolarizabilities, organic materials display a number of significant NLO properties. Experimental measurements and theoretical calculations on molecular hyperpolarizability β have become one of the key factors in the design of second order NLO materials. Theoretical determination of hyperpolarizability is quite useful both in understanding the relationship between the molecular structure and NLO properties. It also provides a guideline to experimentalists for the design and synthesis of organic NLO materials. Quantum-chemical calculations have made an important contribution to the understanding of the electronic polarization underlying the molecular NLO processes and the establishment of structure–property relationships. In the present investigation, the detailed vibrational analysis of some chalcone derivatives is taken up to understand the correlation of the charge transfer interaction and the NLO activity of the molecules based on density functional theory calculations. The vibrational modes contributing toward the NLO activity have been identified and analyzed. Rather large hyperpolarizability derived by theoretical calculations suggests the possible future use of these compounds for non-linear optical applications. The study suggests the importance of π - conjugated systems for non-linear optical properties and the possibility of charge transfer interactions. We hope that the results of the present study of chalcone derivatives are of assistance in development of new efficient materials for technological applications.

Keywords: hyperpolarizability, molecular structure, NLO material, quantum chemical calculations

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Authors: Zahra Dehghani, Hoda Dehghani, Elham Zarenezhad

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1,2,3-Triazole derivatives are important compounds in medicinal chemistry owing to their wide applications in drug discovery. They can readily associate with biologically targets through the hydrogen bonding and dipole interactions. The 1,2,3-triazole core is a key structural motif in many bioactive compounds, exhibiting a broad spectrum of biological activities, such as antiviral, anticancer, anti-HIV, antibiotic, antibacterial, and antimicrobial. Additionally, they have found significant industrial applications as dyes, agrochemicals, corrosion inhibitors, photo stabilizers, and photographic materials. we disclose the synthesis and characterization of 1-azido-3-(aryl-2-yloxy)propan-2-ol drivatives. The chemistry works well with various ß-azido alcohols involving aryloxy, alkoxy and alkyl residues, and also tolerates a wide spectrum of electron-donating and electron-withdrawing functional groups in both alkyne and azide molecules. Most of ß-azidoalcohols used in these experiments were pre-synthesized by the regioselective ring opening reaction of corresponded epoxides with sodium azide, whereas the majority of terminal alkynes were prepared via SN2-type reaction of propargyl bromide and corresponded nucleophiles. To evaluate the bioactivity of title compounds, the in vitro antifungal activity of all compound was investigated against several pathogenic fungi including Candida albicans, Candida krusei, Aspergillus niger, and Trichophyton rubrum , clotrimazole and fluconazole was used as standard antifungal drugs, also To understand the antibacterial activity of synthesized compounds, they were in vitro screened against E. coli and S. aureus as Gram-negative and Gram-positive bacteria, respectively. The in vitro tests have shown the promising antifungal but marginal antibacterial activity against tested fungi and bacteria.

Keywords: biological activities, antibacterial, antifungal, 1, 2, 3-Triazole

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Authors: Mikołaj Szyca

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Friction elements of rail vehicle brakes are more and more often made of composite materials that displace cast iron. Materials are tested primarily in terms of their dynamic abilities, but the material structure of brake pads and linings changes during operation. In connection with the above, the changes taking place in the tested rubbing materials were analyzed using X-ray computed tomography in order to obtain data on changes in the structure of the material immediately after production and after a certain number of operating cycles. The implementation of microtomography research for experimental work on new friction materials may result in increasing the potential for the production of new composites by eliminating unfavorable material factors and, consequently, improving the dynamic parameters.

Keywords: composite materials, friction pair, X-ray computed microtomography, railway

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Authors: Khadidja Bellifa, Sidi Mohamed Mekelleche

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Phenols and especially halogenated phenols represent a substantial part of the chemicals produced worldwide and are known as aquatic pollutants. Quantitative structure–toxicity relationship (QSTR) models are useful for understanding how chemical structure relates to the toxicity of chemicals. In the present study, the acute toxicities of 45 halogenated phenols to Tetrahymena Pyriformis are estimated using no cost semi-empirical quantum chemistry methods. QSTR models were established using the multiple linear regression technique and the predictive ability of the models was evaluated by the internal cross-validation, the Y-randomization and the external validation. Their structural chemical domain has been defined by the leverage approach. The results show that the best model is obtained with the AM1 method (R²= 0.91, R²CV= 0.90, SD= 0.20 for the training set and R²= 0.96, SD= 0.11 for the test set). Moreover, all the Tropsha’ criteria for a predictive QSTR model are verified.

Keywords: halogenated phenols, toxicity mechanism, hydrophobicity, electrophilicity index, quantitative stucture-toxicity relationships

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Authors: Abdulla Almulla, Wafaa Mahdi

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Building materials can make a significant contribution to the level of natural radioactivity in closed dwelling areas. Therefore, developing an expert system for monitoring the activity concentrations (ACs) of naturally occurring radioactive materials (NORMs) existing in building materials is useful for limiting the population’s exposure to gamma radiation emitted from those materials. The present work not only is aimed at examining the indoor radon concentration emitted by the building materials that are originated from various countries but are commercially available in Kuwait, but also is aimed at developing an expert system for monitoring the radiation emitted from these materials and classifying it as normal (acceptable) or dangerous (unacceptable). This system makes it possible to always monitor any radiological risks to human health. When detecting high doses of radiation, the system gives warning messages.

Keywords: building materials, NORMs, HNBRA, radionuclides, activity concentrations, expert systems

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Authors: Michael T. Ajayi, Oluwakemi E. Fapojuwo

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Farmers are in need of regular and relevant information relating to new technologies. Production of extension materials has been found to be useful in facilitating the process. Extension materials help to provide information to reach large numbers of farmers quickly and economically. However, as good as extension materials are, previous materials produced are not used by farmers. The reasons for this include lack of involvement of farmers in the production of the extension materials, most of the extension materials are not relevant to the farmers’ environments, the agricultural extension agents lack capacity to prepare the materials, and many extension agents lack commitment. These problems led to this innovative capacity building of extension agents. This innovative approach involves five stages. The first stage is the diagnostic survey of farmers’ environment to collect useful information. The second stage is the development and production of draft extension materials. The third stage is the field testing and evaluation of draft materials by the same farmers that were involved at the diagnostic stage. The fourth stage is the revision of the draft extension materials by incorporating suggestions from farmers. The fifth stage is the action plans. This process improves the capacity of agricultural extension agents in the preparation of extension materials and also promotes engagement of farmers and beneficiaries in the process. The process also makes farmers assume some level of ownership of the exercise and the extension materials.

Keywords: capacity building, extension agents, dissemination, information/technologies

Procedia PDF Downloads 360

Authors: Isik Cetintav, Cenk Misirli, Yilmaz Can, Damla Gunel

Abstract:

This work investigates experimental and numerical analysis of open die forging of multimetallic materials. Multimetallic material production has recently become an interesting research field. The mechanical properties of the materials to be used for the formation of multimetallic materials and the mechanical properties of the multimetallic materials produced will be compared and the material flows of the use of different lubricants will be examined. Furthermore, in this work, the mechanical properties of multimetallic metallic materials produced using different materials will be examined by using different lubricants. The advantages and disadvantages of different lubricants will be approached with the bi-metallic material to be produced. Cylindrical specimens consisting of two different materials were used in the experiments. Specimens were prepared as aluminum sleeve and copper core and upset at different reduction. This metal combination present a material model of which chemical composition is different. ABAQUS software was used for the simulations. Simulation and experimental results have also shown reasonable agreement.

Keywords: multimetallic, forging, experimental, numerical

Procedia PDF Downloads 278

Authors: Maria Gonzalez Alriols, Itziar Egues, Maria A. Andres, Mirari Antxustegi

Abstract:

Peer to peer learning is an educational tool very useful to enhance teamwork and reinforce cooperation between mates. It is particularly successful to work with students of different level of previous knowledge, as it often happens among pupils of subjects in the first course of science and engineering studies. Depending on the performed pre-university academic itinerary, the acquired knowledge in disciplines as mathematics, physics, or chemistry may be quite different. This fact is an added difficulty to the tuition of first-course basic science subjects of engineering degrees, with inexperienced students that do not know each other. In this context, peer to peer learning applied in small groups facilitates the communication between mates and makes it easier for the students with low level to be helped by the ones with better prior knowledge. In this work, several collaborative learning strategies were designed to be applied in the tuition of the subject 'chemistry', which is imparted in the first course of an engineering degree. Students were organized in groups combining mates with different level of prior knowledge. The teaching role was offered to the more experienced students who were responsible for designing learning pills to help the other mates in their group. This workload was rewarded with an extra mark, and more extra points were offered to all the group mates if every student in the group reached a determined level at the end of the semester. It was very important to start these activities from the beginning of the semester in order to avoid absenteeism. The obtained results were positive as a higher percentage of mates signed up and passed the final exam, the obtained final marks were higher, and a much better atmosphere was observed in the class.

Keywords: peer to peer tuition, collaborative learning, engineering instruction, chemistry

Procedia PDF Downloads 140

Authors: Sarka Keprdova, Nikol Zizkova

Abstract:

This paper focuses on the presentation of results which were obtained as a part of the project FR-TI 3/742: “System of Lightweight Materials for Finishing of Buildings with Waste Raw Materials”. Attention was paid to the lightweighting of polymer-modified mortars applicable as adhesives, screeds and repair mortars. In terms of repair mortars, they were ones intended for the sanitation of aerated concrete.

Keywords: additives, light aggregates, lightweight materials, lightweight mortars, polymer-modified mortars

Procedia PDF Downloads 412

Authors: Josef Brychta, Jiri Kratochvil, Marek Pagac

Abstract:

The group of progressive cutting materials can include non-traditional, emerging and less-used materials that can be an efficient use of cutting their lead to a quantum leap in the field of machining. This is essentially a “superhard” materials (STM) based on polycrystalline diamond (PCD) and polycrystalline cubic boron nitride (PCBN) cutting performance ceramics and development is constantly "perfecting" fine coated cemented carbides. The latter cutting materials are broken down by two parameters, toughness and hardness. A variation of alloying elements is always possible to improve only one of each parameter. Reducing the size of the core on the other hand doing achieves "contradictory" properties, namely to increase both hardness and toughness.

Keywords: grained cutting materials difficult to machine materials, optimum utilization, mechanic, manufacturing

Procedia PDF Downloads 299